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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.
Benzene and substituted derivatives (120,692)
Phenols (23,419)
Naphthalenes (6,183)
Phenol esters (4,230)
Unsubstituted Phenols (1,422)
Fluorenes (1,298)
Thiophenols (726)
Anthracenes (515)
Indanes (459)
Phenanthrenes and derivatives (364)
Tetralins (350)
Triphenyl compounds (279)
Pyrenes (274)
Dibenzocycloheptenes (61)
Naphthacenes (37)
Ellagic acids and derivatives (33)
Pentacenes (22)
Acenaphthylenes (18)
Pentacenequinones (18)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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5,776 – 5,790 of 147,092 results
5,776
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4-Fluoro-2-methylbenzyl alcohol, 99%

CAS: 80141-91-9 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.157 MDL Number: MFCD03701058 InChI Key: YSULUXOLTMBSFF-UHFFFAOYSA-N Synonym: 4-fluoro-2-methylphenyl methanol,4-fluoro-2-methylbenzyl alcohol,4-fluoro-2-methylbenzylalcohol,rarechem al bd 0506,4-fluoro-2-methylbenzenemethanol,benzenemethanol, 4-fluoro-2-methyl,4-fluoro-2-methyl-phenyl-methanol,4-fluoro-2-methylphenyl methan-1-ol,4'-fluoro-2-methylbenzyl alcohol PubChem CID: 3872017 IUPAC Name: (4-fluoro-2-methylphenyl)methanol SMILES: CC1=C(C=CC(=C1)F)CO

PubChem CID 3872017
CAS 80141-91-9
Molecular Weight (g/mol) 140.157
MDL Number MFCD03701058
SMILES CC1=C(C=CC(=C1)F)CO
Synonym 4-fluoro-2-methylphenyl methanol,4-fluoro-2-methylbenzyl alcohol,4-fluoro-2-methylbenzylalcohol,rarechem al bd 0506,4-fluoro-2-methylbenzenemethanol,benzenemethanol, 4-fluoro-2-methyl,4-fluoro-2-methyl-phenyl-methanol,4-fluoro-2-methylphenyl methan-1-ol,4'-fluoro-2-methylbenzyl alcohol
IUPAC Name (4-fluoro-2-methylphenyl)methanol
InChI Key YSULUXOLTMBSFF-UHFFFAOYSA-N
Molecular Formula C8H9FO
5,777
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3-Bromobenzyl chloride, 97%

CAS: 932-77-4 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00040865 InChI Key: UDKGXKYEWBGQCG-UHFFFAOYSA-N Synonym: 3-bromobenzyl chloride,1-bromo-3-chloromethyl benzene,3-bromo-alpha-chlorotoluene,m-bromobenzyl chloride,benzene, 1-bromo-3-chloromethyl,3-bromo-a-chlorotoluene,3-bromobenzylchloride,pubchem23319,acmc-209rkw,bromo-3-chloromethyl-benzene PubChem CID: 523059 IUPAC Name: 1-bromo-3-(chloromethyl)benzene SMILES: C1=CC(=CC(=C1)Br)CCl

PubChem CID 523059
CAS 932-77-4
Molecular Weight (g/mol) 205.479
MDL Number MFCD00040865
SMILES C1=CC(=CC(=C1)Br)CCl
Synonym 3-bromobenzyl chloride,1-bromo-3-chloromethyl benzene,3-bromo-alpha-chlorotoluene,m-bromobenzyl chloride,benzene, 1-bromo-3-chloromethyl,3-bromo-a-chlorotoluene,3-bromobenzylchloride,pubchem23319,acmc-209rkw,bromo-3-chloromethyl-benzene
IUPAC Name 1-bromo-3-(chloromethyl)benzene
InChI Key UDKGXKYEWBGQCG-UHFFFAOYSA-N
Molecular Formula C7H6BrCl
5,778
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alpha-Chloro-o-xylene, 99%

CAS: 552-45-4 Molecular Formula: C8H9Cl Molecular Weight (g/mol): 140.61 MDL Number: MFCD00000899 InChI Key: VQRBXYBBGHOGFT-UHFFFAOYSA-N Synonym: 2-methylbenzyl chloride,1-chloromethyl-2-methylbenzene,o-xylyl chloride,alpha-chloro-o-xylene,o-methylbenzyl chloride,o-chloromethyl toluene,benzene, 1-chloromethyl-2-methyl,2-methylbenzylchloride,2-chloromethyl toluene,unii-eqt3v044tw PubChem CID: 11093 IUPAC Name: 1-(chloromethyl)-2-methylbenzene SMILES: CC1=CC=CC=C1CCl

PubChem CID 11093
CAS 552-45-4
Molecular Weight (g/mol) 140.61
MDL Number MFCD00000899
SMILES CC1=CC=CC=C1CCl
Synonym 2-methylbenzyl chloride,1-chloromethyl-2-methylbenzene,o-xylyl chloride,alpha-chloro-o-xylene,o-methylbenzyl chloride,o-chloromethyl toluene,benzene, 1-chloromethyl-2-methyl,2-methylbenzylchloride,2-chloromethyl toluene,unii-eqt3v044tw
IUPAC Name 1-(chloromethyl)-2-methylbenzene
InChI Key VQRBXYBBGHOGFT-UHFFFAOYSA-N
Molecular Formula C8H9Cl
5,779
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(4-Methoxyphenyl)acetonitrile, 97%

CAS: 104-47-2 MDL Number: MFCD00001919 InChI Key: PACGLQCRGWFBJH-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetonitrile,2-4-methoxyphenyl acetonitrile,4-methoxybenzyl cyanide,4-methoxyphenyl acetonitrile,p-methoxyphenylacetonitrile,benzeneacetonitrile, 4-methoxy,p-methoxybenzyl cyanide,anisylacetonitrile,4-anisyl cyanide,p-methoxybenzeneacetonitrile PubChem CID: 66031 IUPAC Name: 2-(4-methoxyphenyl)acetonitrile SMILES: COC1=CC=C(C=C1)CC#N

PubChem CID 66031
CAS 104-47-2
MDL Number MFCD00001919
SMILES COC1=CC=C(C=C1)CC#N
Synonym 4-methoxyphenylacetonitrile,2-4-methoxyphenyl acetonitrile,4-methoxybenzyl cyanide,4-methoxyphenyl acetonitrile,p-methoxyphenylacetonitrile,benzeneacetonitrile, 4-methoxy,p-methoxybenzyl cyanide,anisylacetonitrile,4-anisyl cyanide,p-methoxybenzeneacetonitrile
IUPAC Name 2-(4-methoxyphenyl)acetonitrile
InChI Key PACGLQCRGWFBJH-UHFFFAOYSA-N
5,780
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4-Aminobenzyl alcohol, 98%

CAS: 623-04-1 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD00014782 InChI Key: AXKGIPZJYUNAIW-UHFFFAOYSA-N Synonym: 4-aminobenzyl alcohol,4-aminophenyl methanol,4-aminobenzylalcohol,4-hydroxymethyl aniline,p-aminobenzyl alcohol,p-aminobenzylalcohol,benzenemethanol, 4-amino,benzyl alcohol, p-amino,4-amino-benzylalcohol,pubchem7480 PubChem CID: 69331 IUPAC Name: (4-aminophenyl)methanol SMILES: NC1=CC=C(CO)C=C1

PubChem CID 69331
CAS 623-04-1
Molecular Weight (g/mol) 123.16
MDL Number MFCD00014782
SMILES NC1=CC=C(CO)C=C1
Synonym 4-aminobenzyl alcohol,4-aminophenyl methanol,4-aminobenzylalcohol,4-hydroxymethyl aniline,p-aminobenzyl alcohol,p-aminobenzylalcohol,benzenemethanol, 4-amino,benzyl alcohol, p-amino,4-amino-benzylalcohol,pubchem7480
IUPAC Name (4-aminophenyl)methanol
InChI Key AXKGIPZJYUNAIW-UHFFFAOYSA-N
Molecular Formula C7H9NO
5,781
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2-Allylphenol, 98+%

CAS: 1745-81-9 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00002250 InChI Key: QIRNGVVZBINFMX-UHFFFAOYSA-N Synonym: 2-allylphenol,o-allylphenol,phenol, o-allyl,phenol, 2-2-propenyl,phenol, 2-propenyl,2-prop-2-en-1-yl phenol,2-2-propenyl phenol,2-allyl-phenol,unii-o04f145zjz,2-prop-2-en-1-ylphenol PubChem CID: 15624 ChEBI: CHEBI:39826 IUPAC Name: 2-prop-2-enylphenol SMILES: C=CCC1=CC=CC=C1O

PubChem CID 15624
CAS 1745-81-9
Molecular Weight (g/mol) 134.178
ChEBI CHEBI:39826
MDL Number MFCD00002250
SMILES C=CCC1=CC=CC=C1O
Synonym 2-allylphenol,o-allylphenol,phenol, o-allyl,phenol, 2-2-propenyl,phenol, 2-propenyl,2-prop-2-en-1-yl phenol,2-2-propenyl phenol,2-allyl-phenol,unii-o04f145zjz,2-prop-2-en-1-ylphenol
IUPAC Name 2-prop-2-enylphenol
InChI Key QIRNGVVZBINFMX-UHFFFAOYSA-N
Molecular Formula C9H10O
5,782
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3-Methoxyphenol, 97%

CAS: 150-19-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00002267 InChI Key: ASHGTJPOSUFTGB-UHFFFAOYSA-N Synonym: m-methoxyphenol,3-hydroxyanisole,m-hydroxyanisole,phenol, 3-methoxy,m-guaiacol,resorcinol monomethyl ether,resorcinol methyl ether,1-hydroxy-3-methoxybenzene,phenol, m-methoxy,3-methoxy phenol PubChem CID: 9007 ChEBI: CHEBI:52678 IUPAC Name: 3-methoxyphenol SMILES: COC1=CC=CC(=C1)O

PubChem CID 9007
CAS 150-19-6
Molecular Weight (g/mol) 124.139
ChEBI CHEBI:52678
MDL Number MFCD00002267
SMILES COC1=CC=CC(=C1)O
Synonym m-methoxyphenol,3-hydroxyanisole,m-hydroxyanisole,phenol, 3-methoxy,m-guaiacol,resorcinol monomethyl ether,resorcinol methyl ether,1-hydroxy-3-methoxybenzene,phenol, m-methoxy,3-methoxy phenol
IUPAC Name 3-methoxyphenol
InChI Key ASHGTJPOSUFTGB-UHFFFAOYSA-N
Molecular Formula C7H8O2
5,783

N-Methyldopamine hydrochloride, 95%

CAS: 62-32-8 Molecular Formula: C9H14ClNO2 Molecular Weight (g/mol): 203.67 MDL Number: MFCD00035074 InChI Key: JCDRZCWRRLKLTB-UHFFFAOYSA-N Synonym: n-methyldopamine hydrochloride,methyldopamine hydrochloride,epinine hydrochloride,ephinine hydrochloride,deoxyepinephrine hydrochloride,unii-zv3mg8pax3,zv3mg8pax3,3,4-dihydroxyphenylethylmethylamine hydrochloride,4-2-methylaminoethyl pyrocatechol hydrochloride,3,4-dihydroxyphenyl-1-methylamino-2-ethane hydrochloride PubChem CID: 86470 IUPAC Name: hydrogen 4-[2-(methylamino)ethyl]benzene-1,2-diol chloride SMILES: [H+].[Cl-].CNCCC1=CC=C(O)C(O)=C1

PubChem CID 86470
CAS 62-32-8
Molecular Weight (g/mol) 203.67
MDL Number MFCD00035074
SMILES [H+].[Cl-].CNCCC1=CC=C(O)C(O)=C1
Synonym n-methyldopamine hydrochloride,methyldopamine hydrochloride,epinine hydrochloride,ephinine hydrochloride,deoxyepinephrine hydrochloride,unii-zv3mg8pax3,zv3mg8pax3,3,4-dihydroxyphenylethylmethylamine hydrochloride,4-2-methylaminoethyl pyrocatechol hydrochloride,3,4-dihydroxyphenyl-1-methylamino-2-ethane hydrochloride
IUPAC Name hydrogen 4-[2-(methylamino)ethyl]benzene-1,2-diol chloride
InChI Key JCDRZCWRRLKLTB-UHFFFAOYSA-N
Molecular Formula C9H14ClNO2
5,784
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Trimethyl orthobenzoate, 97%

CAS: 707-07-3 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00008474 InChI Key: IECKAVQTURBPON-UHFFFAOYSA-N Synonym: trimethyl orthobenzoate,trimethoxymethyl benzene,methyl orthobenzoate,benzene, trimethoxymethyl,trimethylorthobenzoate,orthobenzoic acid, trimethyl ester,orthobenzoic acid trimethyl ester,alpha,alpha,alpha-trimethoxytoluene,trimethoxyphenylmethane,trimethyl orthobeznoate PubChem CID: 69720 IUPAC Name: trimethoxymethylbenzene SMILES: COC(C1=CC=CC=C1)(OC)OC

PubChem CID 69720
CAS 707-07-3
Molecular Weight (g/mol) 182.22
MDL Number MFCD00008474
SMILES COC(C1=CC=CC=C1)(OC)OC
Synonym trimethyl orthobenzoate,trimethoxymethyl benzene,methyl orthobenzoate,benzene, trimethoxymethyl,trimethylorthobenzoate,orthobenzoic acid, trimethyl ester,orthobenzoic acid trimethyl ester,alpha,alpha,alpha-trimethoxytoluene,trimethoxyphenylmethane,trimethyl orthobeznoate
IUPAC Name trimethoxymethylbenzene
InChI Key IECKAVQTURBPON-UHFFFAOYSA-N
Molecular Formula C10H14O3
5,785
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2-Nitrophenol, 99%

CAS: 88-75-5 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00011688 InChI Key: IQUPABOKLQSFBK-UHFFFAOYSA-N Synonym: o-nitrophenol,2-hydroxynitrobenzene,phenol, 2-nitro,o-hydroxynitrobenzene,phenol, o-nitro,nitrophenol,o-nitrofenol,ortho-nitrophenol,phenol, nitro,o-nitrofenol czech PubChem CID: 6947 ChEBI: CHEBI:16260 IUPAC Name: 2-nitrophenol SMILES: OC1=CC=CC=C1[N+]([O-])=O

PubChem CID 6947
CAS 88-75-5
Molecular Weight (g/mol) 139.11
ChEBI CHEBI:16260
MDL Number MFCD00011688
SMILES OC1=CC=CC=C1[N+]([O-])=O
Synonym o-nitrophenol,2-hydroxynitrobenzene,phenol, 2-nitro,o-hydroxynitrobenzene,phenol, o-nitro,nitrophenol,o-nitrofenol,ortho-nitrophenol,phenol, nitro,o-nitrofenol czech
IUPAC Name 2-nitrophenol
InChI Key IQUPABOKLQSFBK-UHFFFAOYSA-N
Molecular Formula C6H5NO3
5,786
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2-Amino-5-chlorobenzyl alcohol, 98%

CAS: 37585-25-4 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.597 MDL Number: MFCD00075163 InChI Key: CLKBZWDZDVOIGJ-UHFFFAOYSA-N PubChem CID: 586754 IUPAC Name: (2-amino-5-chlorophenyl)methanol SMILES: C1=CC(=C(C=C1Cl)CO)N

PubChem CID 586754
CAS 37585-25-4
Molecular Weight (g/mol) 157.597
MDL Number MFCD00075163
SMILES C1=CC(=C(C=C1Cl)CO)N
IUPAC Name (2-amino-5-chlorophenyl)methanol
InChI Key CLKBZWDZDVOIGJ-UHFFFAOYSA-N
Molecular Formula C7H8ClNO
5,787
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alpha-Bromo-o-tolunitrile, 98%

CAS: 22115-41-9 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00001794 InChI Key: QGXNHCXKWFNKCG-UHFFFAOYSA-N Synonym: 2-bromomethyl benzonitrile,2-cyanobenzyl bromide,alpha-bromo-o-tolunitrile,o-cyanobenzyl bromide,a-bromo-o-tolunitrile,alpha bromo-o-tolunitrile,2 bromomethyl benzonitrile,2-bromomethyl-benzonitrile,2-cyanophenyl methyl bromide,benzonitrile, 2-bromomethyl PubChem CID: 89599 IUPAC Name: 2-(bromomethyl)benzonitrile SMILES: BrCC1=CC=CC=C1C#N

PubChem CID 89599
CAS 22115-41-9
Molecular Weight (g/mol) 196.05
MDL Number MFCD00001794
SMILES BrCC1=CC=CC=C1C#N
Synonym 2-bromomethyl benzonitrile,2-cyanobenzyl bromide,alpha-bromo-o-tolunitrile,o-cyanobenzyl bromide,a-bromo-o-tolunitrile,alpha bromo-o-tolunitrile,2 bromomethyl benzonitrile,2-bromomethyl-benzonitrile,2-cyanophenyl methyl bromide,benzonitrile, 2-bromomethyl
IUPAC Name 2-(bromomethyl)benzonitrile
InChI Key QGXNHCXKWFNKCG-UHFFFAOYSA-N
Molecular Formula C8H6BrN
5,788
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2,3,4,5,6-Pentafluorobenzyl alcohol, 98%

CAS: 440-60-8 Molecular Formula: C7H3F5O Molecular Weight (g/mol): 198.092 MDL Number: MFCD00004602 InChI Key: PGJYYCIOYBZTPU-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzyl alcohol,pentafluorobenzyl alcohol,perfluorophenyl methanol,pentafluorophenyl methanol,2,3,4,5,6-pentafluorophenyl methanol,2,3,4,5,6-pentafluorobenzenemethanol,hydroxymethyl pentafluorobenzene,benzenemethanol, 2,3,4,5,6-pentafluoro,pentafluorobenzylalcohol,2,3,4,5,6-pentafluorobenzylalcohol PubChem CID: 9923 ChEBI: CHEBI:44903 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)methanol SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)O

PubChem CID 9923
CAS 440-60-8
Molecular Weight (g/mol) 198.092
ChEBI CHEBI:44903
MDL Number MFCD00004602
SMILES C(C1=C(C(=C(C(=C1F)F)F)F)F)O
Synonym 2,3,4,5,6-pentafluorobenzyl alcohol,pentafluorobenzyl alcohol,perfluorophenyl methanol,pentafluorophenyl methanol,2,3,4,5,6-pentafluorophenyl methanol,2,3,4,5,6-pentafluorobenzenemethanol,hydroxymethyl pentafluorobenzene,benzenemethanol, 2,3,4,5,6-pentafluoro,pentafluorobenzylalcohol,2,3,4,5,6-pentafluorobenzylalcohol
IUPAC Name (2,3,4,5,6-pentafluorophenyl)methanol
InChI Key PGJYYCIOYBZTPU-UHFFFAOYSA-N
Molecular Formula C7H3F5O
5,789
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2-Bromo-5-fluorobenzyl bromide, 97%

CAS: 112399-50-5 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.923 MDL Number: MFCD00042187 InChI Key: CZLWYKAZAVYQIK-UHFFFAOYSA-N Synonym: 2-bromo-5-fluorobenzyl bromide,1-bromo-2-bromomethyl-4-fluorobenzene,5-fluoro-2-bromobenzyl bromide,2-bromo-5-fluorobenzylbromide,benzene, 1-bromo-2-bromomethyl-4-fluoro,alpha,2-dibromo-5-fluorotoluene,pubchem1953,acmc-1bt22,ksc493i2h,2-bromo-5-fluoro benzyl bromide PubChem CID: 517972 IUPAC Name: 1-bromo-2-(bromomethyl)-4-fluorobenzene SMILES: C1=CC(=C(C=C1F)CBr)Br

PubChem CID 517972
CAS 112399-50-5
Molecular Weight (g/mol) 267.923
MDL Number MFCD00042187
SMILES C1=CC(=C(C=C1F)CBr)Br
Synonym 2-bromo-5-fluorobenzyl bromide,1-bromo-2-bromomethyl-4-fluorobenzene,5-fluoro-2-bromobenzyl bromide,2-bromo-5-fluorobenzylbromide,benzene, 1-bromo-2-bromomethyl-4-fluoro,alpha,2-dibromo-5-fluorotoluene,pubchem1953,acmc-1bt22,ksc493i2h,2-bromo-5-fluoro benzyl bromide
IUPAC Name 1-bromo-2-(bromomethyl)-4-fluorobenzene
InChI Key CZLWYKAZAVYQIK-UHFFFAOYSA-N
Molecular Formula C7H5Br2F
5,790

2-(4-Chloro-2-fluorophenyl)acetonitrile, 97%, Thermo Scientific™

CAS: 75279-53-7 Molecular Formula: C8H5ClFN Molecular Weight (g/mol): 169.583 MDL Number: MFCD01312758 InChI Key: RTQOANCZEAIDEZ-UHFFFAOYSA-N Synonym: 4-chloro-2-fluorophenylacetonitrile,2-4-chloro-2-fluorophenyl acetonitrile,2-fluoro-4-chlorobenzyl cyanide,4-chloro-2-fluorobenzyl cyanide,benzeneacetonitrile, 4-chloro-2-fluoro,4-chloro-2-fluoro-phenyl-acetonitrile,4-chloro-2-fluoro-phenyl acetonitrile,2-4-chloro-2-fluorophenyl ethanenitrile,pubchem4296,ksc494e1b PubChem CID: 2736569 IUPAC Name: 2-(4-chloro-2-fluorophenyl)acetonitrile SMILES: C1=CC(=C(C=C1Cl)F)CC#N

PubChem CID 2736569
CAS 75279-53-7
Molecular Weight (g/mol) 169.583
MDL Number MFCD01312758
SMILES C1=CC(=C(C=C1Cl)F)CC#N
Synonym 4-chloro-2-fluorophenylacetonitrile,2-4-chloro-2-fluorophenyl acetonitrile,2-fluoro-4-chlorobenzyl cyanide,4-chloro-2-fluorobenzyl cyanide,benzeneacetonitrile, 4-chloro-2-fluoro,4-chloro-2-fluoro-phenyl-acetonitrile,4-chloro-2-fluoro-phenyl acetonitrile,2-4-chloro-2-fluorophenyl ethanenitrile,pubchem4296,ksc494e1b
IUPAC Name 2-(4-chloro-2-fluorophenyl)acetonitrile
InChI Key RTQOANCZEAIDEZ-UHFFFAOYSA-N
Molecular Formula C8H5ClFN