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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 (67,940)
Phenols (13,626)
Naphthalenes (5,098)
Fluorenes (1,235)
Unsubstituted Phenols (1,166)
Thiophenols (617)
Phenol esters (564)
Anthracenes (419)
Phenanthrenes and derivatives (332)
Tetralins (327)
Indanes (313)
Triphenyl compounds (278)
Pyrenes (229)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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3,691 – 3,705 of 79,012 results
3,691

(2-Phenoxyphenyl)methanol, ≥97%, Thermo Scientific™

CAS: 13807-84-6 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00017297 InChI Key: VMZBMTWFHYYOIN-UHFFFAOYSA-N Synonym: 2-phenoxyphenyl methanol,2-phenoxybenzyl alcohol,o-phenoxybenzyl alcohol,phenoxyphenylmethanol,2-phenoxybenzylalcohol,2-phenoxybenzenemethanol,o-phenoxy benzyl alcohol,2-phenoxy-benzenemethanol,benzenemethanol, phenoxy,2-phenoxy-phenyl-methanol PubChem CID: 3660111 IUPAC Name: (2-phenoxyphenyl)methanol SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2CO

PubChem CID 3660111
CAS 13807-84-6
Molecular Weight (g/mol) 200.237
MDL Number MFCD00017297
SMILES C1=CC=C(C=C1)OC2=CC=CC=C2CO
Synonym 2-phenoxyphenyl methanol,2-phenoxybenzyl alcohol,o-phenoxybenzyl alcohol,phenoxyphenylmethanol,2-phenoxybenzylalcohol,2-phenoxybenzenemethanol,o-phenoxy benzyl alcohol,2-phenoxy-benzenemethanol,benzenemethanol, phenoxy,2-phenoxy-phenyl-methanol
IUPAC Name (2-phenoxyphenyl)methanol
InChI Key VMZBMTWFHYYOIN-UHFFFAOYSA-N
Molecular Formula C13H12O2
3,692

N-Benzylbenzamide, 99%

CAS: 1485-70-7 Molecular Formula: C14H13NO Molecular Weight (g/mol): 211.26 MDL Number: MFCD00003070 InChI Key: LKQUCICFTHBFAL-UHFFFAOYSA-N Synonym: benzamide, n-phenylmethyl,n-benzyl-benzamide,phenyl-n-benzylcarboxamide,benzoylbenzylamine,n∼1∼-benzylbenzamide,benzamide, n-benzyl,n-phenylmethyl benzamide,acmc-1bx9y,n-benzylbenzamide,lkqucicfthbfal-uhfffaoysa PubChem CID: 73878 IUPAC Name: N-benzylbenzamide SMILES: O=C(NCC1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 73878
CAS 1485-70-7
Molecular Weight (g/mol) 211.26
MDL Number MFCD00003070
SMILES O=C(NCC1=CC=CC=C1)C1=CC=CC=C1
Synonym benzamide, n-phenylmethyl,n-benzyl-benzamide,phenyl-n-benzylcarboxamide,benzoylbenzylamine,n∼1∼-benzylbenzamide,benzamide, n-benzyl,n-phenylmethyl benzamide,acmc-1bx9y,n-benzylbenzamide,lkqucicfthbfal-uhfffaoysa
IUPAC Name N-benzylbenzamide
InChI Key LKQUCICFTHBFAL-UHFFFAOYSA-N
Molecular Formula C14H13NO
3,693

4-Methoxy-3-nitrobenzoic acid, 98%, Thermo Scientific™

CAS: 89-41-8 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.15 MDL Number: MFCD00007256 InChI Key: ANXBDAFDZSXOPQ-UHFFFAOYSA-N Synonym: 4-methoxy-3-nitrobenzoic acid,3-nitro-4-methoxybenzoic acid,3-nitro-p-anisic acid,benzoic acid, 4-methoxy-3-nitro,unii-dd71o31olz,p-anisic acid, 3-nitro,dd71o31olz,4-methoxy-3-nitro benzoic acid,4-methoxy-3-nitro-benzoic acid,4-methoxy-3-nitrobenzoicacid PubChem CID: 66640 SMILES: COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 66640
CAS 89-41-8
Molecular Weight (g/mol) 197.15
MDL Number MFCD00007256
SMILES COC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
Synonym 4-methoxy-3-nitrobenzoic acid,3-nitro-4-methoxybenzoic acid,3-nitro-p-anisic acid,benzoic acid, 4-methoxy-3-nitro,unii-dd71o31olz,p-anisic acid, 3-nitro,dd71o31olz,4-methoxy-3-nitro benzoic acid,4-methoxy-3-nitro-benzoic acid,4-methoxy-3-nitrobenzoicacid
InChI Key ANXBDAFDZSXOPQ-UHFFFAOYSA-N
Molecular Formula C8H7NO5
3,694

2-Hydroxyhippuric acid, 95%

CAS: 487-54-7 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00002695 InChI Key: ONJSZLXSECQROL-UHFFFAOYSA-N Synonym: salicyluric acid,2-hydroxyhippuric acid,salicylurate,o-hydroxyhippuric acid,n-salicyloylglycine,salicyloylglycine,n-2-hydroxybenzoyl glycine,glycine, n-2-hydroxybenzoyl,2-2-hydroxybenzamido acetic acid,n-o-hydroxybenzoylglycine PubChem CID: 10253 ChEBI: CHEBI:9008 IUPAC Name: 2-[(2-hydroxybenzoyl)amino]acetic acid SMILES: OC(=O)CNC(=O)C1=CC=CC=C1O

PubChem CID 10253
CAS 487-54-7
Molecular Weight (g/mol) 195.17
ChEBI CHEBI:9008
MDL Number MFCD00002695
SMILES OC(=O)CNC(=O)C1=CC=CC=C1O
Synonym salicyluric acid,2-hydroxyhippuric acid,salicylurate,o-hydroxyhippuric acid,n-salicyloylglycine,salicyloylglycine,n-2-hydroxybenzoyl glycine,glycine, n-2-hydroxybenzoyl,2-2-hydroxybenzamido acetic acid,n-o-hydroxybenzoylglycine
IUPAC Name 2-[(2-hydroxybenzoyl)amino]acetic acid
InChI Key ONJSZLXSECQROL-UHFFFAOYSA-N
Molecular Formula C9H9NO4
3,695

4-Amino-3-hydroxy-1-naphthalenesulfonic acid, 95%

CAS: 116-63-2 Molecular Formula: C10H9NO4S Molecular Weight (g/mol): 239.25 MDL Number: MFCD00004019 InChI Key: RXCMFQDTWCCLBL-UHFFFAOYSA-N Synonym: 1-amino-2-naphthol-4-sulfonic acid,4-amino-3-hydroxy-1-naphthalenesulfonic acid,1-amino-4-sulfo-2-naphthol,1,2,4-acid,unii-w46sk3p33g,1-naphthalenesulfonic acid, 4-amino-3-hydroxy,4-amino-3-hydroxynaphthalene-1-sulphonic acid,4-amino-3-hydroxynaphthalenesulfonic acid,1,2,4-aminonaphtholsulfonic acid,2-hydroxy-4-sulfo-1-naphthylamine PubChem CID: 8316 ChEBI: CHEBI:19024 IUPAC Name: 4-amino-3-hydroxynaphthalene-1-sulfonic acid SMILES: C1=CC=C2C(=C1)C(=CC(=C2N)O)S(=O)(=O)O

PubChem CID 8316
CAS 116-63-2
Molecular Weight (g/mol) 239.25
ChEBI CHEBI:19024
MDL Number MFCD00004019
SMILES C1=CC=C2C(=C1)C(=CC(=C2N)O)S(=O)(=O)O
Synonym 1-amino-2-naphthol-4-sulfonic acid,4-amino-3-hydroxy-1-naphthalenesulfonic acid,1-amino-4-sulfo-2-naphthol,1,2,4-acid,unii-w46sk3p33g,1-naphthalenesulfonic acid, 4-amino-3-hydroxy,4-amino-3-hydroxynaphthalene-1-sulphonic acid,4-amino-3-hydroxynaphthalenesulfonic acid,1,2,4-aminonaphtholsulfonic acid,2-hydroxy-4-sulfo-1-naphthylamine
IUPAC Name 4-amino-3-hydroxynaphthalene-1-sulfonic acid
InChI Key RXCMFQDTWCCLBL-UHFFFAOYSA-N
Molecular Formula C10H9NO4S
3,696

o-Tolualdehyde, 98%, stabilized

CAS: 529-20-4 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00003338 InChI Key: BTFQKIATRPGRBS-UHFFFAOYSA-N Synonym: o-tolualdehyde,2-tolualdehyde,2-formyltoluene,o-toluylaldehyde,o-toluic aldehyde,o-tolylaldehyde,o-methylbenzaldehyde,benzaldehyde, 2-methyl,2-methyl-benzaldehyde,o-methylbenazldehyde PubChem CID: 10722 ChEBI: CHEBI:27434 IUPAC Name: 2-methylbenzaldehyde SMILES: CC1=CC=CC=C1C=O

PubChem CID 10722
CAS 529-20-4
Molecular Weight (g/mol) 120.15
ChEBI CHEBI:27434
MDL Number MFCD00003338
SMILES CC1=CC=CC=C1C=O
Synonym o-tolualdehyde,2-tolualdehyde,2-formyltoluene,o-toluylaldehyde,o-toluic aldehyde,o-tolylaldehyde,o-methylbenzaldehyde,benzaldehyde, 2-methyl,2-methyl-benzaldehyde,o-methylbenazldehyde
IUPAC Name 2-methylbenzaldehyde
InChI Key BTFQKIATRPGRBS-UHFFFAOYSA-N
Molecular Formula C8H8O
3,697

4-Bromo-3-methylaniline, 97%, Thermo Scientific™

CAS: 6933-10-4 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00007828

CAS 6933-10-4
Molecular Weight (g/mol) 186.05
MDL Number MFCD00007828
Molecular Formula C7H8BrN
3,698

3,5-Dimethoxyphenol, 97%

CAS: 500-99-2 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00008388 InChI Key: XQDNFAMOIPNVES-UHFFFAOYSA-N Synonym: taxicatigenin,phenol, 3,5-dimethoxy,phloroglucinol dimethyl ether,1-hydroxy-3,5-dimethoxybenzene,3,5-dimethoxy phenol,unii-23uxw8136a,phenol,5-dimethoxy,3,5-dimethoxy-phenol,pubchem16421,acmc-209kk2 PubChem CID: 10383 IUPAC Name: 3,5-dimethoxyphenol SMILES: COC1=CC(OC)=CC(O)=C1

PubChem CID 10383
CAS 500-99-2
Molecular Weight (g/mol) 154.17
MDL Number MFCD00008388
SMILES COC1=CC(OC)=CC(O)=C1
Synonym taxicatigenin,phenol, 3,5-dimethoxy,phloroglucinol dimethyl ether,1-hydroxy-3,5-dimethoxybenzene,3,5-dimethoxy phenol,unii-23uxw8136a,phenol,5-dimethoxy,3,5-dimethoxy-phenol,pubchem16421,acmc-209kk2
IUPAC Name 3,5-dimethoxyphenol
InChI Key XQDNFAMOIPNVES-UHFFFAOYSA-N
Molecular Formula C8H10O3
3,699

4-Amino-3-(trifluoromethoxy)benzonitrile, ≥97%, Thermo Scientific™

CAS: 175278-23-6 Molecular Formula: C8H5F3N2O Molecular Weight (g/mol): 202.14 MDL Number: MFCD00204177 InChI Key: QNJPSMLILRHZOW-UHFFFAOYSA-N Synonym: 4-amino-3-trifluoromethoxy benzonitrile,benzonitrile, 4-amino-3-trifluoromethoxy,3-trifluoromethoxy-4-aminobenzonitrile,4-amino-3-trifluoromethoxy benzenecarbonitrile,pubchem4688,ksc535q4r,buttpark 81\01-97,4-cyano-2-trifluoromethoxy-aniline,4-cyano-2-trifluoromethoxy aniline,4-amino-3-trifluoromethoxy-benzonitrile PubChem CID: 2735952 IUPAC Name: 4-amino-3-(trifluoromethoxy)benzonitrile SMILES: NC1=C(OC(F)(F)F)C=C(C=C1)C#N

PubChem CID 2735952
CAS 175278-23-6
Molecular Weight (g/mol) 202.14
MDL Number MFCD00204177
SMILES NC1=C(OC(F)(F)F)C=C(C=C1)C#N
Synonym 4-amino-3-trifluoromethoxy benzonitrile,benzonitrile, 4-amino-3-trifluoromethoxy,3-trifluoromethoxy-4-aminobenzonitrile,4-amino-3-trifluoromethoxy benzenecarbonitrile,pubchem4688,ksc535q4r,buttpark 81\01-97,4-cyano-2-trifluoromethoxy-aniline,4-cyano-2-trifluoromethoxy aniline,4-amino-3-trifluoromethoxy-benzonitrile
IUPAC Name 4-amino-3-(trifluoromethoxy)benzonitrile
InChI Key QNJPSMLILRHZOW-UHFFFAOYSA-N
Molecular Formula C8H5F3N2O
3,700

alpha,4-Dimethylstyrene, stab. with 4-tert-butylcatechol

CAS: 1195-32-0 Molecular Formula: C10H12 Molecular Weight (g/mol): 132.21 MDL Number: MFCD00036510 InChI Key: MMSLOZQEMPDGPI-UHFFFAOYSA-N Synonym: 1-methyl-4-prop-1-en-2-yl benzene,dehydro-p-cymene,2-p-tolylpropene,4-isopropenyltoluene,4-methylisopropenylbenzene,2-p-methylphenyl propene,p-cymenene,p,alpha-dimethylstyrene,p-alpha-dimethylstyrene,1-isopropenyl-4-methylbenzene PubChem CID: 62385 SMILES: CC(=C)C1=CC=C(C)C=C1

PubChem CID 62385
CAS 1195-32-0
Molecular Weight (g/mol) 132.21
MDL Number MFCD00036510
SMILES CC(=C)C1=CC=C(C)C=C1
Synonym 1-methyl-4-prop-1-en-2-yl benzene,dehydro-p-cymene,2-p-tolylpropene,4-isopropenyltoluene,4-methylisopropenylbenzene,2-p-methylphenyl propene,p-cymenene,p,alpha-dimethylstyrene,p-alpha-dimethylstyrene,1-isopropenyl-4-methylbenzene
InChI Key MMSLOZQEMPDGPI-UHFFFAOYSA-N
Molecular Formula C10H12
3,701

3-(1-Methyl-1H-pyrazol-5-yl)benzylamine, 97%, Thermo Scientific™

CAS: 934570-45-3 Molecular Formula: C11H13N3 Molecular Weight (g/mol): 187.246 MDL Number: MFCD09702399 InChI Key: UPQOTZRZQXMJNT-UHFFFAOYSA-N Synonym: 3-1-methyl-1h-pyrazol-5-yl phenyl methanamine,3-1-methyl-1h-pyrazol-5-yl benzylamine,3-2-methylpyrazol-3-yl phenyl methanamine,3-1-methylpyrazol-5-yl phenyl methylamine,3-1-methyl-1h-pyrazol-5-yl phenyl methylamine,1-3-1-methyl-1h-pyrazol-5-yl phenyl methanamine,1-3-2-methylpyrazol-3-yl phenyl methanamine,benzenemethanamine,3-1-methyl-1h-pyrazol-5-yl PubChem CID: 24229625 IUPAC Name: [3-(2-methylpyrazol-3-yl)phenyl]methanamine SMILES: CN1C(=CC=N1)C2=CC(=CC=C2)CN

PubChem CID 24229625
CAS 934570-45-3
Molecular Weight (g/mol) 187.246
MDL Number MFCD09702399
SMILES CN1C(=CC=N1)C2=CC(=CC=C2)CN
Synonym 3-1-methyl-1h-pyrazol-5-yl phenyl methanamine,3-1-methyl-1h-pyrazol-5-yl benzylamine,3-2-methylpyrazol-3-yl phenyl methanamine,3-1-methylpyrazol-5-yl phenyl methylamine,3-1-methyl-1h-pyrazol-5-yl phenyl methylamine,1-3-1-methyl-1h-pyrazol-5-yl phenyl methanamine,1-3-2-methylpyrazol-3-yl phenyl methanamine,benzenemethanamine,3-1-methyl-1h-pyrazol-5-yl
IUPAC Name [3-(2-methylpyrazol-3-yl)phenyl]methanamine
InChI Key UPQOTZRZQXMJNT-UHFFFAOYSA-N
Molecular Formula C11H13N3
3,702

{4-[(6-Methylpyrazin-2-yl)oxy]phenyl}methanol, 97%, Thermo Scientific™

CAS: 906353-02-4 Molecular Formula: C12H12N2O2 Molecular Weight (g/mol): 216.24 MDL Number: MFCD09817533 InChI Key: RNFIYSOVNHRFJW-UHFFFAOYSA-N Synonym: 4-6-methylpyrazin-2-yl oxy phenyl methanol,4-6-methylpyrazin-2-yl oxy benzyl alcohol,4-6-methylpyrazin-2-yloxy phenyl methan-1-ol PubChem CID: 24229691 IUPAC Name: [4-(6-methylpyrazin-2-yl)oxyphenyl]methanol SMILES: CC1=CN=CC(OC2=CC=C(CO)C=C2)=N1

PubChem CID 24229691
CAS 906353-02-4
Molecular Weight (g/mol) 216.24
MDL Number MFCD09817533
SMILES CC1=CN=CC(OC2=CC=C(CO)C=C2)=N1
Synonym 4-6-methylpyrazin-2-yl oxy phenyl methanol,4-6-methylpyrazin-2-yl oxy benzyl alcohol,4-6-methylpyrazin-2-yloxy phenyl methan-1-ol
IUPAC Name [4-(6-methylpyrazin-2-yl)oxyphenyl]methanol
InChI Key RNFIYSOVNHRFJW-UHFFFAOYSA-N
Molecular Formula C12H12N2O2
3,703

1-(4-Chlorobenzhydryl)piperazine, 90-95%

CAS: 303-26-4 Molecular Formula: C17H19ClN2 Molecular Weight (g/mol): 286.79 InChI Key: UZKBSZSTDQSMDR-UHFFFAOYSA-N Synonym: 1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine PubChem CID: 9340 IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]piperazine SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

PubChem CID 9340
CAS 303-26-4
Molecular Weight (g/mol) 286.79
SMILES C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Synonym 1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine
IUPAC Name 1-[(4-chlorophenyl)-phenylmethyl]piperazine
InChI Key UZKBSZSTDQSMDR-UHFFFAOYSA-N
Molecular Formula C17H19ClN2
3,704

3-Phenyl-1-propylamine, 98%

CAS: 2038-57-5 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00008224 InChI Key: LYUQWQRTDLVQGA-UHFFFAOYSA-N Synonym: 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine PubChem CID: 16259 IUPAC Name: 3-phenylpropan-1-amine SMILES: NCCCC1=CC=CC=C1

PubChem CID 16259
CAS 2038-57-5
Molecular Weight (g/mol) 135.21
MDL Number MFCD00008224
SMILES NCCCC1=CC=CC=C1
Synonym 3-phenylpropylamine,benzenepropanamine,1-amino-3-phenylpropane,hydrocinnamylamine,gamma-phenylpropylamine,3-phenyl-n-propylamine,3-phenyl-1-propylamine,3-phenyl-1-propanamine,propylamine, 3-phenyl,3-phenylpropanamine
IUPAC Name 3-phenylpropan-1-amine
InChI Key LYUQWQRTDLVQGA-UHFFFAOYSA-N
Molecular Formula C9H13N
3,705

p-Toluenesulfonic acid monohydrate, 97.5%, pure

CAS: 6192-52-5 MDL Number: MFCD00142137 InChI Key: KJIFKLIQANRMOU-UHFFFAOYSA-N Synonym: p-toluenesulfonic acid monohydrate,4-methylbenzenesulfonic acid hydrate,4-methylbenzenesulfonic acid monohydrate,p-toluene sulfonic acid monohydrate,unii-3bto78gaff,benzenesulfonic acid, 4-methyl-, monohydrate,ptoluenesulfonic acid,p-toluenesulfonic acid, monohydrate,3bto78gaff,4-methylbenzene-1-sulfonic acid hydrate PubChem CID: 521998 IUPAC Name: 4-methylbenzenesulfonic acid;hydrate SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.O

PubChem CID 521998
CAS 6192-52-5
MDL Number MFCD00142137
SMILES CC1=CC=C(C=C1)S(=O)(=O)O.O
Synonym p-toluenesulfonic acid monohydrate,4-methylbenzenesulfonic acid hydrate,4-methylbenzenesulfonic acid monohydrate,p-toluene sulfonic acid monohydrate,unii-3bto78gaff,benzenesulfonic acid, 4-methyl-, monohydrate,ptoluenesulfonic acid,p-toluenesulfonic acid, monohydrate,3bto78gaff,4-methylbenzene-1-sulfonic acid hydrate
IUPAC Name 4-methylbenzenesulfonic acid;hydrate
InChI Key KJIFKLIQANRMOU-UHFFFAOYSA-N