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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Phenols (186)
Benzene and substituted derivatives (136)
Naphthalenes (29)
Unsubstituted Phenols (18)
Thiophenols (5)
Ellagic acids and derivatives (4)
Indanes (4)
Anthracenes (2)
Phenanthrenes and derivatives (2)
Pyrenes (2)

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1 – 15 of 308 results
1

Phenol, ACS, 99+%, stab.

CAS: 108-95-2 Molecular Formula: C6H6O Molecular Weight (g/mol): 94.11 MDL Number: MFCD00002143 InChI Key: ISWSIDIOOBJBQZ-UHFFFAOYSA-N Synonym: carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol PubChem CID: 996 ChEBI: CHEBI:15882 IUPAC Name: phenol SMILES: OC1=CC=CC=C1

EDGE
PubChem CID 996
CAS 108-95-2
Molecular Weight (g/mol) 94.11
ChEBI CHEBI:15882
MDL Number MFCD00002143
SMILES OC1=CC=CC=C1
Synonym carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol
IUPAC Name phenol
InChI Key ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Molecular Formula C6H6O
2
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Terephthalic acid, 99+%

CAS: 100-21-0 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 MDL Number: MFCD00002558 InChI Key: KKEYFWRCBNTPAC-UHFFFAOYSA-N Synonym: p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene PubChem CID: 7489 ChEBI: CHEBI:15702 IUPAC Name: terephthalic acid SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O

PubChem CID 7489
CAS 100-21-0
Molecular Weight (g/mol) 166.13
ChEBI CHEBI:15702
MDL Number MFCD00002558
SMILES C1=CC(=CC=C1C(=O)O)C(=O)O
Synonym p-phthalic acid,1,4-benzenedicarboxylic acid,benzene-1,4-dicarboxylic acid,p-dicarboxybenzene,p-benzenedicarboxylic acid,p-carboxybenzoic acid,acide terephtalique,para-phthalic acid,tephthol,1,4-dicarboxybenzene
IUPAC Name terephthalic acid
InChI Key KKEYFWRCBNTPAC-UHFFFAOYSA-N
Molecular Formula C8H6O4
3
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3-Methoxybenzaldehyde, 98%

CAS: 591-31-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003361 InChI Key: WMPDAIZRQDCGFH-UHFFFAOYSA-N Synonym: m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh PubChem CID: 11569 IUPAC Name: 3-methoxybenzaldehyde SMILES: COC1=CC=CC(=C1)C=O

PubChem CID 11569
CAS 591-31-1
Molecular Weight (g/mol) 136.15
MDL Number MFCD00003361
SMILES COC1=CC=CC(=C1)C=O
Synonym m-anisaldehyde,3-anisaldehyde,benzaldehyde, 3-methoxy,m-methoxybenzaldehyde,metamethoxybenzaldehyde,3-methoxy-benzaldehyde,unii-8zao7s0ivh,ccris 960,meta-anisaldehyde,8zao7s0ivh
IUPAC Name 3-methoxybenzaldehyde
InChI Key WMPDAIZRQDCGFH-UHFFFAOYSA-N
Molecular Formula C8H8O2
4

Ellagic Acid, MP Biomedicals™

CAS: 476-66-4 Molecular Formula: C14H6O8 Molecular Weight (g/mol): 302.19 MDL Number: MFCD00006914 InChI Key: AFSDNFLWKVMVRB-UHFFFAOYSA-N Synonym: ellagic acid,benzoaric acid,lagistase,eleagic acid,alizarine yellow,elagostasine,2,3,7,8-tetrahydroxychromeno 5,4,3-cde chromene-5,10-dione,ellagic acid dihydrate,llagic acid,acide ellagique PubChem CID: 5281855 ChEBI: CHEBI:4775 IUPAC Name: 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione SMILES: OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O

PubChem CID 5281855
CAS 476-66-4
Molecular Weight (g/mol) 302.19
ChEBI CHEBI:4775
MDL Number MFCD00006914
SMILES OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O
Synonym ellagic acid,benzoaric acid,lagistase,eleagic acid,alizarine yellow,elagostasine,2,3,7,8-tetrahydroxychromeno 5,4,3-cde chromene-5,10-dione,ellagic acid dihydrate,llagic acid,acide ellagique
IUPAC Name 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
InChI Key AFSDNFLWKVMVRB-UHFFFAOYSA-N
Molecular Formula C14H6O8
5
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Acetylsalicylic acid, 99%, Thermo Scientific Chemicals

CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N Synonym: aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin PubChem CID: 2244 ChEBI: CHEBI:15365 IUPAC Name: 2-acetyloxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O

PubChem CID 2244
CAS 50-78-2
Molecular Weight (g/mol) 180.16
ChEBI CHEBI:15365
MDL Number MFCD00002430
SMILES CC(=O)OC1=CC=CC=C1C(O)=O
Synonym aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin
IUPAC Name 2-acetyloxybenzoic acid
InChI Key BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Molecular Formula C9H8O4
6
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Anthrone, ACS

CAS: 90-44-8 Molecular Formula: C14H10O Molecular Weight (g/mol): 194.23 MDL Number: MFCD00001187 InChI Key: RJGDLRCDCYRQOQ-UHFFFAOYSA-N Synonym: anthrone,9 10h-anthracenone,carbothrone,anthranone,9-oxoanthracene,9,10-dihydro-9-oxoanthracene,az-o,anthracen-9 10h-one,anthracene, 9,10-dihydro-9-oxo,unii-fp0fj7k744 PubChem CID: 7018 ChEBI: CHEBI:33835 IUPAC Name: 10H-anthracen-9-one SMILES: O=C1C2=CC=CC=C2CC2=CC=CC=C12

PubChem CID 7018
CAS 90-44-8
Molecular Weight (g/mol) 194.23
ChEBI CHEBI:33835
MDL Number MFCD00001187
SMILES O=C1C2=CC=CC=C2CC2=CC=CC=C12
Synonym anthrone,9 10h-anthracenone,carbothrone,anthranone,9-oxoanthracene,9,10-dihydro-9-oxoanthracene,az-o,anthracen-9 10h-one,anthracene, 9,10-dihydro-9-oxo,unii-fp0fj7k744
IUPAC Name 10H-anthracen-9-one
InChI Key RJGDLRCDCYRQOQ-UHFFFAOYSA-N
Molecular Formula C14H10O
7
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Phenol, detached crystals, 99+%

CAS: 108-95-2 Molecular Formula: C6H6O Molecular Weight (g/mol): 94.11 MDL Number: MFCD00002143 InChI Key: ISWSIDIOOBJBQZ-UHFFFAOYSA-N Synonym: carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol PubChem CID: 996 ChEBI: CHEBI:15882 IUPAC Name: phenol SMILES: OC1=CC=CC=C1

PubChem CID 996
CAS 108-95-2
Molecular Weight (g/mol) 94.11
ChEBI CHEBI:15882
MDL Number MFCD00002143
SMILES OC1=CC=CC=C1
Synonym carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol
IUPAC Name phenol
InChI Key ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Molecular Formula C6H6O
8

Chlorpropamide

CAS: 94-20-2 Molecular Formula: C10H13ClN2O3S Molecular Weight (g/mol): 276.735 MDL Number: MFCD00079004 InChI Key: RKWGIWYCVPQPMF-UHFFFAOYSA-N Synonym: chlorpropamide,chloropropamide,diabinese,chlorpropamid,diabenese,glucamide,meldian,chlorodiabina,chloronase,diabeneza PubChem CID: 2727 ChEBI: CHEBI:3650 IUPAC Name: 1-(4-chlorophenyl)sulfonyl-3-propylurea SMILES: CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl

PubChem CID 2727
CAS 94-20-2
Molecular Weight (g/mol) 276.735
ChEBI CHEBI:3650
MDL Number MFCD00079004
SMILES CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl
Synonym chlorpropamide,chloropropamide,diabinese,chlorpropamid,diabenese,glucamide,meldian,chlorodiabina,chloronase,diabeneza
IUPAC Name 1-(4-chlorophenyl)sulfonyl-3-propylurea
InChI Key RKWGIWYCVPQPMF-UHFFFAOYSA-N
Molecular Formula C10H13ClN2O3S
9

L-Noradrenaline, 98%

CAS: 51-41-2 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00025592 InChI Key: SFLSHLFXELFNJZ-QMMMGPOBSA-N Synonym: norepinephrine,l-noradrenaline,levarterenol,arterenol,noradrenaline,levophed,--norepinephrine,l-norepinephrine,r-noradrenaline,r-norepinephrine PubChem CID: 439260 ChEBI: CHEBI:18357 IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol SMILES: NC[C@H](O)C1=CC=C(O)C(O)=C1

PubChem CID 439260
CAS 51-41-2
Molecular Weight (g/mol) 169.18
ChEBI CHEBI:18357
MDL Number MFCD00025592
SMILES NC[C@H](O)C1=CC=C(O)C(O)=C1
Synonym norepinephrine,l-noradrenaline,levarterenol,arterenol,noradrenaline,levophed,--norepinephrine,l-norepinephrine,r-noradrenaline,r-norepinephrine
IUPAC Name 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
InChI Key SFLSHLFXELFNJZ-QMMMGPOBSA-N
Molecular Formula C8H11NO3
10
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Thermo Scientific Chemicals Ellagic acid, 97%

CAS: 476-66-4 Molecular Formula: C14H6O8 Molecular Weight (g/mol): 302.19 MDL Number: MFCD00006914 InChI Key: AFSDNFLWKVMVRB-UHFFFAOYSA-N Synonym: ellagic acid,benzoaric acid,lagistase,eleagic acid,alizarine yellow,elagostasine,2,3,7,8-tetrahydroxychromeno 5,4,3-cde chromene-5,10-dione,ellagic acid dihydrate,llagic acid,acide ellagique PubChem CID: 5281855 ChEBI: CHEBI:4775 IUPAC Name: 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione SMILES: OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O

PubChem CID 5281855
CAS 476-66-4
Molecular Weight (g/mol) 302.19
ChEBI CHEBI:4775
MDL Number MFCD00006914
SMILES OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O
Synonym ellagic acid,benzoaric acid,lagistase,eleagic acid,alizarine yellow,elagostasine,2,3,7,8-tetrahydroxychromeno 5,4,3-cde chromene-5,10-dione,ellagic acid dihydrate,llagic acid,acide ellagique
IUPAC Name 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
InChI Key AFSDNFLWKVMVRB-UHFFFAOYSA-N
Molecular Formula C14H6O8
11
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4-Aminophenol, 98%

CAS: 123-30-8 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00007869 InChI Key: PLIKAWJENQZMHA-UHFFFAOYSA-N Synonym: p-aminophenol,4-hydroxyaniline,p-hydroxyaniline,phenol, 4-amino,paranol,4-aminobenzenol,certinal,citol,azol,fouramine p PubChem CID: 403 ChEBI: CHEBI:17602 IUPAC Name: 4-aminophenol SMILES: C1=CC(=CC=C1N)O

PubChem CID 403
CAS 123-30-8
Molecular Weight (g/mol) 109.128
ChEBI CHEBI:17602
MDL Number MFCD00007869
SMILES C1=CC(=CC=C1N)O
Synonym p-aminophenol,4-hydroxyaniline,p-hydroxyaniline,phenol, 4-amino,paranol,4-aminobenzenol,certinal,citol,azol,fouramine p
IUPAC Name 4-aminophenol
InChI Key PLIKAWJENQZMHA-UHFFFAOYSA-N
Molecular Formula C6H7NO
12
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Orcein, for analysis

CAS: 1400-62-0 Molecular Formula: C28H24N2O7 Molecular Weight (g/mol): 500.507 MDL Number: MFCD00062310 InChI Key: VPEASJIRGSVXBF-UHFFFAOYSA-N Synonym: orcein,pacein,2,8-bis 2,4-dihydroxy-6-methyl-anilino-1,9-dimethyl-dibenzofuran-3,7-dione,2,8-bis 2,4-dihydroxy-6-methylanilino-1,9-dimethyldibenzo b,d furan-3,7-dione,unii-655waw52f4,orcein 1g,c.i. natural red 28,ncistruc1_000110,ncistruc2_001941,2,4-dihydroxy-6-methylphenylamino-1,9-dimethyldibenzo b,d furan-3,7-dione PubChem CID: 5386447 IUPAC Name: 2,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzofuran-3,7-dione SMILES: CC1=CC(=CC(=C1NC2=C(C3=C4C(=C(C(=O)C=C4OC3=CC2=O)NC5=C(C=C(C=C5C)O)O)C)C)O)O

PubChem CID 5386447
CAS 1400-62-0
Molecular Weight (g/mol) 500.507
MDL Number MFCD00062310
SMILES CC1=CC(=CC(=C1NC2=C(C3=C4C(=C(C(=O)C=C4OC3=CC2=O)NC5=C(C=C(C=C5C)O)O)C)C)O)O
Synonym orcein,pacein,2,8-bis 2,4-dihydroxy-6-methyl-anilino-1,9-dimethyl-dibenzofuran-3,7-dione,2,8-bis 2,4-dihydroxy-6-methylanilino-1,9-dimethyldibenzo b,d furan-3,7-dione,unii-655waw52f4,orcein 1g,c.i. natural red 28,ncistruc1_000110,ncistruc2_001941,2,4-dihydroxy-6-methylphenylamino-1,9-dimethyldibenzo b,d furan-3,7-dione
IUPAC Name 2,8-bis(2,4-dihydroxy-6-methylanilino)-1,9-dimethyldibenzofuran-3,7-dione
InChI Key VPEASJIRGSVXBF-UHFFFAOYSA-N
Molecular Formula C28H24N2O7
13
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1-Naphthol, 99+%

CAS: 90-15-3 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 MDL Number: MFCD00003930 InChI Key: KJCVRFUGPWSIIH-UHFFFAOYSA-N Synonym: 1-naphthol,1-naphthalenol,alpha-naphthol,1-hydroxynaphthalene,naphthol,fouramine ern,fourrine ern,tertral ern,furro er,basf ursol ern PubChem CID: 7005 ChEBI: CHEBI:10319 IUPAC Name: naphthalen-1-ol SMILES: C1=CC=C2C(=C1)C=CC=C2O

PubChem CID 7005
CAS 90-15-3
Molecular Weight (g/mol) 144.17
ChEBI CHEBI:10319
MDL Number MFCD00003930
SMILES C1=CC=C2C(=C1)C=CC=C2O
Synonym 1-naphthol,1-naphthalenol,alpha-naphthol,1-hydroxynaphthalene,naphthol,fouramine ern,fourrine ern,tertral ern,furro er,basf ursol ern
IUPAC Name naphthalen-1-ol
InChI Key KJCVRFUGPWSIIH-UHFFFAOYSA-N
Molecular Formula C10H8O
14
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4,4'-Dihydroxydiphenylmethane, 98%

CAS: 620-92-8 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00002385 InChI Key: PXKLMJQFEQBVLD-UHFFFAOYSA-N Synonym: 4,4'-methylenediphenol,bis 4-hydroxyphenyl methane,4,4'-dihydroxydiphenylmethane,phenol, 4,4'-methylenebis,p-p-hydroxybenzyl phenol,bis p-hydroxyphenyl methane,phenol, 4,4'-methylenedi,4,4'-methylenebisphenol,p,p'-bis hydroxyphenyl methane,4-4-hydroxyphenyl methyl phenol PubChem CID: 12111 ChEBI: CHEBI:34575 IUPAC Name: 4-[(4-hydroxyphenyl)methyl]phenol SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)O)O

PubChem CID 12111
CAS 620-92-8
Molecular Weight (g/mol) 200.237
ChEBI CHEBI:34575
MDL Number MFCD00002385
SMILES C1=CC(=CC=C1CC2=CC=C(C=C2)O)O
Synonym 4,4'-methylenediphenol,bis 4-hydroxyphenyl methane,4,4'-dihydroxydiphenylmethane,phenol, 4,4'-methylenebis,p-p-hydroxybenzyl phenol,bis p-hydroxyphenyl methane,phenol, 4,4'-methylenedi,4,4'-methylenebisphenol,p,p'-bis hydroxyphenyl methane,4-4-hydroxyphenyl methyl phenol
IUPAC Name 4-[(4-hydroxyphenyl)methyl]phenol
InChI Key PXKLMJQFEQBVLD-UHFFFAOYSA-N
Molecular Formula C13H12O2
15
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4-Chloro-3,5-dimethylphenol, 98+%

CAS: 88-04-0 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00002324 InChI Key: OSDLLIBGSJNGJE-UHFFFAOYSA-N Synonym: chloroxylenol,dettol,4-chloro-3,5-xylenol,pcmx,benzytol,p-chloro-m-xylenol,2-chloro-m-xylenol,4-chloro-m-xylenol,ottasept,desson PubChem CID: 2723 ChEBI: CHEBI:34393 IUPAC Name: 4-chloro-3,5-dimethylphenol SMILES: CC1=CC(=CC(=C1Cl)C)O

PubChem CID 2723
CAS 88-04-0
Molecular Weight (g/mol) 156.609
ChEBI CHEBI:34393
MDL Number MFCD00002324
SMILES CC1=CC(=CC(=C1Cl)C)O
Synonym chloroxylenol,dettol,4-chloro-3,5-xylenol,pcmx,benzytol,p-chloro-m-xylenol,2-chloro-m-xylenol,4-chloro-m-xylenol,ottasept,desson
IUPAC Name 4-chloro-3,5-dimethylphenol
InChI Key OSDLLIBGSJNGJE-UHFFFAOYSA-N
Molecular Formula C8H9ClO