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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 (67,623)
Phenols (13,427)
Naphthalenes (5,064)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (557)
Anthracenes (412)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (277)
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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10,156 – 10,170 of 78,441 results
10,156

3,5,4'-Tribromosalicylanilide 98.0+%, TCI America™

CAS: 87-10-5 Molecular Formula: C13H8Br3NO2 Molecular Weight (g/mol): 449.92 MDL Number: MFCD00045740 InChI Key: KVSKGMLNBAPGKH-UHFFFAOYSA-N PubChem CID: 14868 ChEBI: CHEBI:127105 IUPAC Name: 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide SMILES: OC1=C(Br)C=C(Br)C=C1C(=O)NC1=CC=C(Br)C=C1

PubChem CID 14868
CAS 87-10-5
Molecular Weight (g/mol) 449.92
ChEBI CHEBI:127105
MDL Number MFCD00045740
SMILES OC1=C(Br)C=C(Br)C=C1C(=O)NC1=CC=C(Br)C=C1
IUPAC Name 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide
InChI Key KVSKGMLNBAPGKH-UHFFFAOYSA-N
Molecular Formula C13H8Br3NO2
10,157

3,6-Bis(chloromethyl)durene 98.0+%, TCI America™

CAS: 3022-16-0 Molecular Formula: C12H16Cl2 Molecular Weight (g/mol): 231.16 MDL Number: MFCD00018883 InChI Key: PGFAKOSRZYDFLR-UHFFFAOYSA-N Synonym: 1,4-Bis(chloromethyl)-2,3,5,6-tetramethylbenzene PubChem CID: 76402 IUPAC Name: 1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene SMILES: CC1=C(C(=C(C(=C1CCl)C)C)CCl)C

PubChem CID 76402
CAS 3022-16-0
Molecular Weight (g/mol) 231.16
MDL Number MFCD00018883
SMILES CC1=C(C(=C(C(=C1CCl)C)C)CCl)C
Synonym 1,4-Bis(chloromethyl)-2,3,5,6-tetramethylbenzene
IUPAC Name 1,4-bis(chloromethyl)-2,3,5,6-tetramethylbenzene
InChI Key PGFAKOSRZYDFLR-UHFFFAOYSA-N
Molecular Formula C12H16Cl2
10,158

trans,trans-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one 98.0+%, TCI America™

CAS: 103836-71-1 Molecular Formula: C19H12F6O Molecular Weight (g/mol): 370.294 InChI Key: OIUBVYQZMUKRRF-YDWXAUTNSA-N Synonym: trans,trans-Bis[4-(trifluoromethyl)benzal]acetone, trans,trans-Bis[4-(trifluoromethyl)benzylidene]acetone, trans,trans-Bis[4-(trifluoromethyl)styryl] Ketone PubChem CID: 5373276 IUPAC Name: (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one SMILES: C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F

PubChem CID 5373276
CAS 103836-71-1
Molecular Weight (g/mol) 370.294
SMILES C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)C(F)(F)F)C(F)(F)F
Synonym trans,trans-Bis[4-(trifluoromethyl)benzal]acetone, trans,trans-Bis[4-(trifluoromethyl)benzylidene]acetone, trans,trans-Bis[4-(trifluoromethyl)styryl] Ketone
IUPAC Name (1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-one
InChI Key OIUBVYQZMUKRRF-YDWXAUTNSA-N
Molecular Formula C19H12F6O
10,159

N-(tert-Butoxycarbonyl)-O-benzyl-L-threonine 98.0+%, TCI America™

CAS: 15260-10-3 Molecular Formula: C16H23NO5 Molecular Weight (g/mol): 309.36 MDL Number: MFCD00066062 InChI Key: CTXPLTPDOISPTE-YPMHNXCESA-N Synonym: boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid PubChem CID: 1549483 IUPAC Name: (2S,3R)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}butanoic acid SMILES: C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O

PubChem CID 1549483
CAS 15260-10-3
Molecular Weight (g/mol) 309.36
MDL Number MFCD00066062
SMILES C[C@@H](OCC1=CC=CC=C1)[C@H](NC(=O)OC(C)(C)C)C(O)=O
Synonym boc-thr bzl-oh,boc-o-benzyl-l-threonine,n-tert-butoxycarbonyl-o-benzyl-l-threonine,n-boc-o-benzyl-l-threonine,boc-thr bzl,o-benzyl-n-tert-butoxycarbonyl-l-threonine,n-1,1-dimethylethoxy carbonyl-o-phenylmethyl-l-threonine,l-threonine, n-1,1-dimethylethoxy carbonyl-o-phenylmethyl,2s,3r-2-2-methylpropan-2-yl oxycarbonylamino-3-phenylmethoxybutanoic acid
IUPAC Name (2S,3R)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}butanoic acid
InChI Key CTXPLTPDOISPTE-YPMHNXCESA-N
Molecular Formula C16H23NO5
10,160

2-(3,4-Dihydroxyphenyl)ethyl Alcohol 98.0+%, TCI America™

CAS: 10597-60-1 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.165 MDL Number: MFCD01320529 InChI Key: JUUBCHWRXWPFFH-UHFFFAOYSA-N Synonym: 3,4-Dihydroxyphenethyl Alcohol, 2-(3,4-Dihydroxyphenyl)ethanol PubChem CID: 82755 ChEBI: CHEBI:68889 IUPAC Name: 4-(2-hydroxyethyl)benzene-1,2-diol SMILES: C1=CC(=C(C=C1CCO)O)O

PubChem CID 82755
CAS 10597-60-1
Molecular Weight (g/mol) 154.165
ChEBI CHEBI:68889
MDL Number MFCD01320529
SMILES C1=CC(=C(C=C1CCO)O)O
Synonym 3,4-Dihydroxyphenethyl Alcohol, 2-(3,4-Dihydroxyphenyl)ethanol
IUPAC Name 4-(2-hydroxyethyl)benzene-1,2-diol
InChI Key JUUBCHWRXWPFFH-UHFFFAOYSA-N
Molecular Formula C8H10O3
10,161

4-Fluoroaniline 98.0+%, TCI America™

CAS: 371-40-4 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.12 MDL Number: MFCD00007829 InChI Key: KRZCOLNOCZKSDF-UHFFFAOYSA-N Synonym: p-fluoroaniline,benzenamine, 4-fluoro,1-amino-4-fluorobenzene,4-fluorobenzenamine,p-fluorophenylamine,4-fluoronaniline,aniline, p-fluoro,aniline, 4-fluoro,4-fluoranilin,para-fluoroaniline PubChem CID: 9731 ChEBI: CHEBI:28546 IUPAC Name: 4-fluoroaniline SMILES: NC1=CC=C(F)C=C1

PubChem CID 9731
CAS 371-40-4
Molecular Weight (g/mol) 111.12
ChEBI CHEBI:28546
MDL Number MFCD00007829
SMILES NC1=CC=C(F)C=C1
Synonym p-fluoroaniline,benzenamine, 4-fluoro,1-amino-4-fluorobenzene,4-fluorobenzenamine,p-fluorophenylamine,4-fluoronaniline,aniline, p-fluoro,aniline, 4-fluoro,4-fluoranilin,para-fluoroaniline
IUPAC Name 4-fluoroaniline
InChI Key KRZCOLNOCZKSDF-UHFFFAOYSA-N
Molecular Formula C6H6FN
10,162

1-Pyreneboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 5084102
CAS 164461-18-1
Molecular Weight (g/mol) 246.072
Physical Form Crystalline Powder
SMILES B(C1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4)(O)O
Synonym 1-pyrenylboronic acid,1-pyreneboronic acid,pyrene-1-boronic acid,1-boronopyrene,1-pyrenyl boronic acid
TSCA No
IUPAC Name pyren-1-ylboronic acid
InChI Key MWEKPLLMFXIZOC-UHFFFAOYSA-N
Molecular Formula C16H11BO2
Formula Weight 246.07
Melting Point 251°C
10,163

Benzenesulfonanilide 98.0+%, TCI America™

CAS: 1678-25-7 Molecular Formula: C12H11NO2S Molecular Weight (g/mol): 233.29 MDL Number: MFCD00035919 InChI Key: XAUGWFWQVYXATQ-UHFFFAOYSA-N Synonym: benzenesulfonanilide,benzoylsulfanilide,benzenesulfoanilide,benzensulfonanilide,benzenesulfanilide,benzenesulfonamide, n-phenyl,n-phenylbenzenesulphonamide,phenyl phenylsulfonyl amine,n-phenyl-benzenesulfonamide,chembl83148 PubChem CID: 74296 IUPAC Name: N-phenylbenzenesulfonamide SMILES: O=S(=O)(NC1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 74296
CAS 1678-25-7
Molecular Weight (g/mol) 233.29
MDL Number MFCD00035919
SMILES O=S(=O)(NC1=CC=CC=C1)C1=CC=CC=C1
Synonym benzenesulfonanilide,benzoylsulfanilide,benzenesulfoanilide,benzensulfonanilide,benzenesulfanilide,benzenesulfonamide, n-phenyl,n-phenylbenzenesulphonamide,phenyl phenylsulfonyl amine,n-phenyl-benzenesulfonamide,chembl83148
IUPAC Name N-phenylbenzenesulfonamide
InChI Key XAUGWFWQVYXATQ-UHFFFAOYSA-N
Molecular Formula C12H11NO2S
10,164

1-Benzyl-1-phenylhydrazine Hydrochloride 98.0+%, TCI America™

CAS: 5705-15-7 Molecular Formula: C13H15ClN2 Molecular Weight (g/mol): 234.73 MDL Number: MFCD00050690 InChI Key: JTYLHYOCBGPMNO-UHFFFAOYSA-N Synonym: 1-benzyl-1-phenylhydrazine hydrochloride,n-benzyl-n-phenylhydrazine hydrochloride,usaf ek-1666,hydrazine, 1-phenyl-1-phenylmethyl-, monohydrochloride,alpha-benzyl-alpha-phenylhydrazine hydrochloride,n-benzyl-n-phenylhydrazinium 1+ chloride,hydrazine, 1-benzyl-1-phenyl-, hydrochloride,1-benzyl-1-phenylhydrazine hydrochloride van,hydrazine, 1-phenyl-1-phenylmethyl-, hydrochloride 1:1,acmc-209lvq PubChem CID: 79785 IUPAC Name: hydrogen 1-benzyl-1-phenylhydrazine chloride SMILES: [H+].[Cl-].NN(CC1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 79785
CAS 5705-15-7
Molecular Weight (g/mol) 234.73
MDL Number MFCD00050690
SMILES [H+].[Cl-].NN(CC1=CC=CC=C1)C1=CC=CC=C1
Synonym 1-benzyl-1-phenylhydrazine hydrochloride,n-benzyl-n-phenylhydrazine hydrochloride,usaf ek-1666,hydrazine, 1-phenyl-1-phenylmethyl-, monohydrochloride,alpha-benzyl-alpha-phenylhydrazine hydrochloride,n-benzyl-n-phenylhydrazinium 1+ chloride,hydrazine, 1-benzyl-1-phenyl-, hydrochloride,1-benzyl-1-phenylhydrazine hydrochloride van,hydrazine, 1-phenyl-1-phenylmethyl-, hydrochloride 1:1,acmc-209lvq
IUPAC Name hydrogen 1-benzyl-1-phenylhydrazine chloride
InChI Key JTYLHYOCBGPMNO-UHFFFAOYSA-N
Molecular Formula C13H15ClN2
10,165

4-Ethylbenzenesulfonamide 98.0+%, TCI America™

CAS: 138-38-5 Molecular Formula: C8H11NO2S Molecular Weight (g/mol): 185.24 MDL Number: MFCD01365828 InChI Key: MLTGAVXHWSDGIS-UHFFFAOYSA-N PubChem CID: 222870 IUPAC Name: 4-ethylbenzene-1-sulfonamide SMILES: CCC1=CC=C(C=C1)S(N)(=O)=O

PubChem CID 222870
CAS 138-38-5
Molecular Weight (g/mol) 185.24
MDL Number MFCD01365828
SMILES CCC1=CC=C(C=C1)S(N)(=O)=O
IUPAC Name 4-ethylbenzene-1-sulfonamide
InChI Key MLTGAVXHWSDGIS-UHFFFAOYSA-N
Molecular Formula C8H11NO2S
10,166

1-Pyreneboronic Acid (contains varying amounts of Anhydride), TCI America™

CAS: 164461-18-1 Molecular Formula: C16H11BO2 Molecular Weight (g/mol): 246.07 MDL Number: MFCD04974062 InChI Key: MWEKPLLMFXIZOC-UHFFFAOYSA-N Synonym: 1-pyrenylboronic acid,1-pyreneboronic acid,pyrene-1-boronic acid,1-boronopyrene,1-pyrenyl boronic acid,boronic acid, 1-pyrenyl,1-pyrene boronic acid,pyreneboronic acid,pubchem16490,pyren-1-yl boronic acid PubChem CID: 5084102 IUPAC Name: (pyren-1-yl)boronic acid SMILES: OB(O)C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34

PubChem CID 5084102
CAS 164461-18-1
Molecular Weight (g/mol) 246.07
MDL Number MFCD04974062
SMILES OB(O)C1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34
Synonym 1-pyrenylboronic acid,1-pyreneboronic acid,pyrene-1-boronic acid,1-boronopyrene,1-pyrenyl boronic acid,boronic acid, 1-pyrenyl,1-pyrene boronic acid,pyreneboronic acid,pubchem16490,pyren-1-yl boronic acid
IUPAC Name (pyren-1-yl)boronic acid
InChI Key MWEKPLLMFXIZOC-UHFFFAOYSA-N
Molecular Formula C16H11BO2
10,167

2,4,6-Trichlorobenzoyl Chloride 98.0+%, TCI America™

CAS: 4136-95-2 Molecular Formula: C7H2Cl4O Molecular Weight (g/mol): 243.89 MDL Number: MFCD00075323 InChI Key: OZGSEIVTQLXWRO-UHFFFAOYSA-N Synonym: 2,4,6-trichlorobenzoylchloride,benzoyl chloride, 2,4,6-trichloro,mi,acmc-209jk3,ksc494s2p,2,4,6-cl3c6h2cocl,2,4,6-ttrichlorobenzoyl chloride,2,4,6-trichloro benzoyl chloride,2,4,6-trichlorobenzoic acid chloride,2,4,6-tris chloranyl benzoyl chloride PubChem CID: 2733703 IUPAC Name: 2,4,6-trichlorobenzoyl chloride SMILES: ClC(=O)C1=C(Cl)C=C(Cl)C=C1Cl

PubChem CID 2733703
CAS 4136-95-2
Molecular Weight (g/mol) 243.89
MDL Number MFCD00075323
SMILES ClC(=O)C1=C(Cl)C=C(Cl)C=C1Cl
Synonym 2,4,6-trichlorobenzoylchloride,benzoyl chloride, 2,4,6-trichloro,mi,acmc-209jk3,ksc494s2p,2,4,6-cl3c6h2cocl,2,4,6-ttrichlorobenzoyl chloride,2,4,6-trichloro benzoyl chloride,2,4,6-trichlorobenzoic acid chloride,2,4,6-tris chloranyl benzoyl chloride
IUPAC Name 2,4,6-trichlorobenzoyl chloride
InChI Key OZGSEIVTQLXWRO-UHFFFAOYSA-N
Molecular Formula C7H2Cl4O
10,168

4',6,7-Trimethoxyisoflavone 97.0+%, TCI America™

CAS: 798-61-8 Molecular Formula: C18H16O5 Molecular Weight (g/mol): 312.321 MDL Number: MFCD00016949 InChI Key: YHXIOAVHEXKZCQ-UHFFFAOYSA-N Synonym: 6,7-Dimethoxy-3-(4-methoxyphenyl)chromone PubChem CID: 688655 IUPAC Name: 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC

PubChem CID 688655
CAS 798-61-8
Molecular Weight (g/mol) 312.321
MDL Number MFCD00016949
SMILES COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)OC
Synonym 6,7-Dimethoxy-3-(4-methoxyphenyl)chromone
IUPAC Name 6,7-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
InChI Key YHXIOAVHEXKZCQ-UHFFFAOYSA-N
Molecular Formula C18H16O5
10,169

Methyl N-Phenylcarbamate 98.0+%, TCI America™

CAS: 2603-10-3 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00027552 InChI Key: IAGUPODHENSJEZ-UHFFFAOYSA-N Synonym: N-Phenylcarbamic Acid Methyl Ester PubChem CID: 17451 IUPAC Name: methyl N-phenylcarbamate SMILES: COC(=O)NC1=CC=CC=C1

PubChem CID 17451
CAS 2603-10-3
Molecular Weight (g/mol) 151.17
MDL Number MFCD00027552
SMILES COC(=O)NC1=CC=CC=C1
Synonym N-Phenylcarbamic Acid Methyl Ester
IUPAC Name methyl N-phenylcarbamate
InChI Key IAGUPODHENSJEZ-UHFFFAOYSA-N
Molecular Formula C8H9NO2
10,170

Vanillic Acid 98.0+%, TCI America™

CAS: 121-34-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002551 InChI Key: WKOLLVMJNQIZCI-UHFFFAOYSA-N Synonym: vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8 PubChem CID: 8468 ChEBI: CHEBI:30816 IUPAC Name: 4-hydroxy-3-methoxybenzoic acid SMILES: COC1=CC(=CC=C1O)C(O)=O

PubChem CID 8468
CAS 121-34-6
Molecular Weight (g/mol) 168.15
ChEBI CHEBI:30816
MDL Number MFCD00002551
SMILES COC1=CC(=CC=C1O)C(O)=O
Synonym vanillic acid,acide vanillique,p-vanillic acid,benzoic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxybenzoic acid,vanillate,m-anisic acid, 4-hydroxy,protocatechuic acid, 3-methyl ester,4-hydroxy-3-methoxy-benzoic acid,unii-gm8q3jm2y8
IUPAC Name 4-hydroxy-3-methoxybenzoic acid
InChI Key WKOLLVMJNQIZCI-UHFFFAOYSA-N
Molecular Formula C8H8O4