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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 (88,065)
Phenols (17,839)
Naphthalenes (5,668)
Phenol esters (1,994)
Fluorenes (1,268)
Unsubstituted Phenols (1,237)
Thiophenols (635)
Anthracenes (494)
Indanes (401)
Phenanthrenes and derivatives (361)
Tetralins (336)
Triphenyl compounds (276)
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Naphthacenes (37)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (16)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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10,096 – 10,110 of 105,714 results
10,096

5-Amino-2-methoxybenzoic Acid 97.0+%, TCI America™

CAS: 3403-47-2 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD09260887 InChI Key: LWWPSEIFAKNPKQ-UHFFFAOYSA-N PubChem CID: 13549244 IUPAC Name: 5-amino-2-methoxybenzoic acid SMILES: COC1=C(C=C(C=C1)N)C(=O)O

PubChem CID 13549244
CAS 3403-47-2
Molecular Weight (g/mol) 167.164
MDL Number MFCD09260887
SMILES COC1=C(C=C(C=C1)N)C(=O)O
IUPAC Name 5-amino-2-methoxybenzoic acid
InChI Key LWWPSEIFAKNPKQ-UHFFFAOYSA-N
Molecular Formula C8H9NO3
10,097

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
10,098

N-Ethyl-N-(4-picolyl)atropamide 90.0+%, TCI America™

CAS: 57322-50-6 Molecular Formula: C17H18N2O Molecular Weight (g/mol): 266.34 MDL Number: MFCD01321167 InChI Key: LOVSQYAVWGMIRV-UHFFFAOYSA-N Synonym: N-Ethyl-N-(4-picolyl)-2-phenylacrylamide, N-Ethyl-N-(4-pyridylmethyl)-2-phenylacrylamide PubChem CID: 44630282 IUPAC Name: N-ethyl-2-phenyl-N-[(pyridin-4-yl)methyl]prop-2-enamide SMILES: CCN(CC1=CC=NC=C1)C(=O)C(=C)C1=CC=CC=C1

PubChem CID 44630282
CAS 57322-50-6
Molecular Weight (g/mol) 266.34
MDL Number MFCD01321167
SMILES CCN(CC1=CC=NC=C1)C(=O)C(=C)C1=CC=CC=C1
Synonym N-Ethyl-N-(4-picolyl)-2-phenylacrylamide, N-Ethyl-N-(4-pyridylmethyl)-2-phenylacrylamide
IUPAC Name N-ethyl-2-phenyl-N-[(pyridin-4-yl)methyl]prop-2-enamide
InChI Key LOVSQYAVWGMIRV-UHFFFAOYSA-N
Molecular Formula C17H18N2O
10,099

3,5-Dibenzyloxybenzyl Alcohol 98.0+%, TCI America™

CAS: 24131-31-5 Molecular Formula: C21H20O3 Molecular Weight (g/mol): 320.388 MDL Number: MFCD01863236 InChI Key: MHHXKZKHZMSINU-UHFFFAOYSA-N Synonym: 3,5-dibenzyloxybenzyl alcohol,3,5-bis benzyloxy phenyl methanol,3,5-bis benzyloxy benzyl alcohol,3,5-bis phenylmethoxy phenyl methanol,3,5-benzyloxybenzyl alcohol,3,5-bis phenylmethoxy phenyl methan-1-ol,pubchem13641,3,5-dibenzyloxyphenyl methanol,mhhxkzkhzmsinu-uhfffaoysa PubChem CID: 561476 IUPAC Name: [3,5-bis(phenylmethoxy)phenyl]methanol SMILES: C1=CC=C(C=C1)COC2=CC(=CC(=C2)CO)OCC3=CC=CC=C3

PubChem CID 561476
CAS 24131-31-5
Molecular Weight (g/mol) 320.388
MDL Number MFCD01863236
SMILES C1=CC=C(C=C1)COC2=CC(=CC(=C2)CO)OCC3=CC=CC=C3
Synonym 3,5-dibenzyloxybenzyl alcohol,3,5-bis benzyloxy phenyl methanol,3,5-bis benzyloxy benzyl alcohol,3,5-bis phenylmethoxy phenyl methanol,3,5-benzyloxybenzyl alcohol,3,5-bis phenylmethoxy phenyl methan-1-ol,pubchem13641,3,5-dibenzyloxyphenyl methanol,mhhxkzkhzmsinu-uhfffaoysa
IUPAC Name [3,5-bis(phenylmethoxy)phenyl]methanol
InChI Key MHHXKZKHZMSINU-UHFFFAOYSA-N
Molecular Formula C21H20O3
10,100

Methyl 2-Methyl-4-nitrobenzoate 98.0+%, TCI America™

CAS: 62621-09-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD03618407 InChI Key: JJHCLPDHYBSSHC-UHFFFAOYSA-N Synonym: 2-Methyl-4-nitrobenzoic Acid Methyl Ester, Methyl 4-Nitro-o-toluate, 4-Nitro-o-toluic Acid Methyl Ester PubChem CID: 15088700 IUPAC Name: methyl 2-methyl-4-nitrobenzoate SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC

PubChem CID 15088700
CAS 62621-09-4
Molecular Weight (g/mol) 195.174
MDL Number MFCD03618407
SMILES CC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC
Synonym 2-Methyl-4-nitrobenzoic Acid Methyl Ester, Methyl 4-Nitro-o-toluate, 4-Nitro-o-toluic Acid Methyl Ester
IUPAC Name methyl 2-methyl-4-nitrobenzoate
InChI Key JJHCLPDHYBSSHC-UHFFFAOYSA-N
Molecular Formula C9H9NO4
10,101

Ethyl Benzoylformate 96.0+%, TCI America™

CAS: 1603-79-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00009120 InChI Key: QKLCQKPAECHXCQ-UHFFFAOYSA-N Synonym: ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester PubChem CID: 15349 ChEBI: CHEBI:84260 IUPAC Name: ethyl 2-oxo-2-phenylacetate SMILES: CCOC(=O)C(=O)C1=CC=CC=C1

PubChem CID 15349
CAS 1603-79-8
Molecular Weight (g/mol) 178.19
ChEBI CHEBI:84260
MDL Number MFCD00009120
SMILES CCOC(=O)C(=O)C1=CC=CC=C1
Synonym ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester
IUPAC Name ethyl 2-oxo-2-phenylacetate
InChI Key QKLCQKPAECHXCQ-UHFFFAOYSA-N
Molecular Formula C10H10O3
10,102

4-Fluoro-o-anisaldehyde 97.0+%, TCI America™

CAS: 450-83-9 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00143318 InChI Key: PTKRQIRPNNIORO-UHFFFAOYSA-N Synonym: 2-methoxy-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-2-methoxy,4-fluoro-2-methoxy-benzaldehyde,4-fluoro-o-anisaldehyde,fluoromethoxybenzaldehyde4,pubchem2635,5-fluoro-2-formylanisole,acmc-1ags2,ksc494s3t,4-fluoro-2-methoxybenzal dehyde PubChem CID: 2774537 IUPAC Name: 4-fluoro-2-methoxybenzaldehyde SMILES: COC1=CC(F)=CC=C1C=O

PubChem CID 2774537
CAS 450-83-9
Molecular Weight (g/mol) 154.14
MDL Number MFCD00143318
SMILES COC1=CC(F)=CC=C1C=O
Synonym 2-methoxy-4-fluorobenzaldehyde,benzaldehyde, 4-fluoro-2-methoxy,4-fluoro-2-methoxy-benzaldehyde,4-fluoro-o-anisaldehyde,fluoromethoxybenzaldehyde4,pubchem2635,5-fluoro-2-formylanisole,acmc-1ags2,ksc494s3t,4-fluoro-2-methoxybenzal dehyde
IUPAC Name 4-fluoro-2-methoxybenzaldehyde
InChI Key PTKRQIRPNNIORO-UHFFFAOYSA-N
Molecular Formula C8H7FO2
10,103

4-(tert-Butoxycarbonylamino)benzoic Acid 98.0+%, TCI America™

CAS: 66493-39-8 Molecular Formula: C12H15NO4 Molecular Weight (g/mol): 237.255 MDL Number: MFCD00037428 InChI Key: ZJDBQMWMDZEONW-UHFFFAOYSA-N Synonym: boc-4-abz-oh,4-boc-amino benzoic acid,4-tert-butoxycarbonyl amino benzoic acid,4-tert-butoxycarbonylamino-benzoic acid,n-boc-4-aminobenzoic acid,4-tert-butoxycarbonylaminobenzoic acid,4-tert-butoxycarbonylamino benzoic acid,boc-p-aminobenzoic acid,4-boc-amino-benzoic acid PubChem CID: 2755931 IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)O

PubChem CID 2755931
CAS 66493-39-8
Molecular Weight (g/mol) 237.255
MDL Number MFCD00037428
SMILES CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)O
Synonym boc-4-abz-oh,4-boc-amino benzoic acid,4-tert-butoxycarbonyl amino benzoic acid,4-tert-butoxycarbonylamino-benzoic acid,n-boc-4-aminobenzoic acid,4-tert-butoxycarbonylaminobenzoic acid,4-tert-butoxycarbonylamino benzoic acid,boc-p-aminobenzoic acid,4-boc-amino-benzoic acid
IUPAC Name 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI Key ZJDBQMWMDZEONW-UHFFFAOYSA-N
Molecular Formula C12H15NO4
10,104

1,8-Bis(diphenylphosphino)naphthalene 97.0+%, TCI America™

CAS: 153725-04-3 Molecular Formula: C34H26P2 Molecular Weight (g/mol): 496.53 MDL Number: MFCD04117326 InChI Key: QOXZKPURCFVBRR-UHFFFAOYSA-N PubChem CID: 2756729 IUPAC Name: [8-(diphenylphosphanyl)naphthalen-1-yl]diphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC2=CC=CC(P(C3=CC=CC=C3)C3=CC=CC=C3)=C12

PubChem CID 2756729
CAS 153725-04-3
Molecular Weight (g/mol) 496.53
MDL Number MFCD04117326
SMILES C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC2=CC=CC(P(C3=CC=CC=C3)C3=CC=CC=C3)=C12
IUPAC Name [8-(diphenylphosphanyl)naphthalen-1-yl]diphenylphosphane
InChI Key QOXZKPURCFVBRR-UHFFFAOYSA-N
Molecular Formula C34H26P2
10,105

6-Amino-5-bromoquinoxaline 98.0+%, TCI America™

CAS: 50358-63-9 Molecular Formula: C8H6BrN3 Molecular Weight (g/mol): 224.06 MDL Number: MFCD00799024 InChI Key: IRAOSCSPAYZRJE-UHFFFAOYSA-N PubChem CID: 14928442 IUPAC Name: 5-bromoquinoxalin-6-amine SMILES: NC1=CC=C2N=CC=NC2=C1Br

PubChem CID 14928442
CAS 50358-63-9
Molecular Weight (g/mol) 224.06
MDL Number MFCD00799024
SMILES NC1=CC=C2N=CC=NC2=C1Br
IUPAC Name 5-bromoquinoxalin-6-amine
InChI Key IRAOSCSPAYZRJE-UHFFFAOYSA-N
Molecular Formula C8H6BrN3
10,106

Ethyl (3-Hydroxyphenyl)acetate 98.0+%, TCI America™

CAS: 22446-38-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD07369387 InChI Key: NSQBADKMIYCCSC-UHFFFAOYSA-N Synonym: (3-Hydroxyphenyl)acetic Acid Ethyl Ester PubChem CID: 572437 IUPAC Name: ethyl 2-(3-hydroxyphenyl)acetate SMILES: CCOC(=O)CC1=CC(O)=CC=C1

PubChem CID 572437
CAS 22446-38-4
Molecular Weight (g/mol) 180.20
MDL Number MFCD07369387
SMILES CCOC(=O)CC1=CC(O)=CC=C1
Synonym (3-Hydroxyphenyl)acetic Acid Ethyl Ester
IUPAC Name ethyl 2-(3-hydroxyphenyl)acetate
InChI Key NSQBADKMIYCCSC-UHFFFAOYSA-N
Molecular Formula C10H12O3
10,107

2,4,5-Trifluoro-1,3-phenylenediamine 98.0+%, TCI America™

CAS: 321182-37-0 Molecular Formula: C6H5F3N2 Molecular Weight (g/mol): 162.115 MDL Number: MFCD04114298 InChI Key: ONVSXVVJFJJZQX-UHFFFAOYSA-N Synonym: 1,3-Diamino-2,4,5-trifluorobenzene PubChem CID: 15531223 IUPAC Name: 2,4,5-trifluorobenzene-1,3-diamine SMILES: C1=C(C(=C(C(=C1F)F)N)F)N

PubChem CID 15531223
CAS 321182-37-0
Molecular Weight (g/mol) 162.115
MDL Number MFCD04114298
SMILES C1=C(C(=C(C(=C1F)F)N)F)N
Synonym 1,3-Diamino-2,4,5-trifluorobenzene
IUPAC Name 2,4,5-trifluorobenzene-1,3-diamine
InChI Key ONVSXVVJFJJZQX-UHFFFAOYSA-N
Molecular Formula C6H5F3N2
10,108

2-Fluorobenzyl Cyanide 97.0+%, TCI America™

CAS: 326-62-5 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.14 MDL Number: MFCD00001897 InChI Key: DAVJMKMVLKOQQC-UHFFFAOYSA-N Synonym: 2-fluorophenylacetonitrile,2-fluorobenzyl cyanide,2-2-fluorophenyl acetonitrile,benzeneacetonitrile, 2-fluoro,o-fluorophenylacetonitrile,o-fluorobenzyl cyanide,2-fluorophenyl acetonitrile,acetonitrile, o-fluorophenyl,2-2-fluorophenyl ethanenitrile,2-fluorobenzeneacetonitrile PubChem CID: 67592 IUPAC Name: 2-(2-fluorophenyl)acetonitrile SMILES: FC1=CC=CC=C1CC#N

PubChem CID 67592
CAS 326-62-5
Molecular Weight (g/mol) 135.14
MDL Number MFCD00001897
SMILES FC1=CC=CC=C1CC#N
Synonym 2-fluorophenylacetonitrile,2-fluorobenzyl cyanide,2-2-fluorophenyl acetonitrile,benzeneacetonitrile, 2-fluoro,o-fluorophenylacetonitrile,o-fluorobenzyl cyanide,2-fluorophenyl acetonitrile,acetonitrile, o-fluorophenyl,2-2-fluorophenyl ethanenitrile,2-fluorobenzeneacetonitrile
IUPAC Name 2-(2-fluorophenyl)acetonitrile
InChI Key DAVJMKMVLKOQQC-UHFFFAOYSA-N
Molecular Formula C8H6FN
10,109

Methyl 2-(Trifluoromethyl)benzoate 98.0+%, TCI America™

CAS: 344-96-7 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00236050 InChI Key: JLCAMDSWNZBTEE-UHFFFAOYSA-N Synonym: methyl 2-trifluoromethyl benzoate,benzoic acid, trifluoromethyl-, methyl ester,acmc-1ahfp,methyl o-trifluoromethylbenzoate,jlcamdswnzbtee-uhfffaoysa,methyl-2-trifluoromethyl benzoate,2-trifluoromethylbenzoic acid methyl ester,2-trifluoromethyl-benzoic acid methyl ester,2-trifluoromethyl benzoic acid methyl ester,methyl alpha,alpha,alpha-trifluoro-o-toluate PubChem CID: 2775578 IUPAC Name: methyl 2-(trifluoromethyl)benzoate SMILES: COC(=O)C1=CC=CC=C1C(F)(F)F

PubChem CID 2775578
CAS 344-96-7
Molecular Weight (g/mol) 204.148
MDL Number MFCD00236050
SMILES COC(=O)C1=CC=CC=C1C(F)(F)F
Synonym methyl 2-trifluoromethyl benzoate,benzoic acid, trifluoromethyl-, methyl ester,acmc-1ahfp,methyl o-trifluoromethylbenzoate,jlcamdswnzbtee-uhfffaoysa,methyl-2-trifluoromethyl benzoate,2-trifluoromethylbenzoic acid methyl ester,2-trifluoromethyl-benzoic acid methyl ester,2-trifluoromethyl benzoic acid methyl ester,methyl alpha,alpha,alpha-trifluoro-o-toluate
IUPAC Name methyl 2-(trifluoromethyl)benzoate
InChI Key JLCAMDSWNZBTEE-UHFFFAOYSA-N
Molecular Formula C9H7F3O2
10,110

Pentabromobenzyl Alcohol 98.0+%, TCI America™

CAS: 79415-41-1 Molecular Formula: C7H3Br5O Molecular Weight (g/mol): 502.62 MDL Number: MFCD00192377 InChI Key: KKWHDMUCBWSKGL-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentabromobenzyl alcohol,pentabromobenzyl alcohol,2,3,4,5,6-pentabromophenyl methanol,acmc-1beji,2,3,4,5,6-pentabromobenzylalcohol,kkwhdmucbwskgl-uhfffaoysa,benzenemethanol,2,3,4,5,6-pentabromo PubChem CID: 2733946 IUPAC Name: (2,3,4,5,6-pentabromophenyl)methanol SMILES: C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O

PubChem CID 2733946
CAS 79415-41-1
Molecular Weight (g/mol) 502.62
MDL Number MFCD00192377
SMILES C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O
Synonym 2,3,4,5,6-pentabromobenzyl alcohol,pentabromobenzyl alcohol,2,3,4,5,6-pentabromophenyl methanol,acmc-1beji,2,3,4,5,6-pentabromobenzylalcohol,kkwhdmucbwskgl-uhfffaoysa,benzenemethanol,2,3,4,5,6-pentabromo
IUPAC Name (2,3,4,5,6-pentabromophenyl)methanol
InChI Key KKWHDMUCBWSKGL-UHFFFAOYSA-N
Molecular Formula C7H3Br5O