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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 (129,565)
Phenols (24,872)
Naphthalenes (6,288)
Phenol esters (4,683)
Unsubstituted Phenols (1,436)
Fluorenes (1,296)
Thiophenols (747)
Anthracenes (509)
Indanes (489)
Phenanthrenes and derivatives (364)
Tetralins (339)
Pyrenes (285)
Triphenyl compounds (279)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (22)
Acenaphthylenes (17)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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1,576 – 1,590 of 158,060 results
1,576
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4-Chloro-3-fluorobenzyl bromide, 97%

CAS: 206362-80-3 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD04115859 InChI Key: CNUYBEIHDWMLSD-UHFFFAOYSA-N Synonym: 4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn PubChem CID: 2783136 IUPAC Name: 4-(bromomethyl)-1-chloro-2-fluorobenzene SMILES: FC1=C(Cl)C=CC(CBr)=C1

PubChem CID 2783136
CAS 206362-80-3
Molecular Weight (g/mol) 223.47
MDL Number MFCD04115859
SMILES FC1=C(Cl)C=CC(CBr)=C1
Synonym 4-bromomethyl-1-chloro-2-fluorobenzene,4-chloro-3-fluorobenzyl bromide,3-fluoro-4-chlorobenzyl bromide,3-fluoro-4-chlorobenzylbromide,4-chloro-3-fluorobenzylbromide,alpha-bromo-4-chloro-3-fluorotoluene,4-chloro-3 fluoro benzyl bromide,benzene, 4-bromomethyl-1-chloro-2-fluoro,pubchem4898,acmc-209fcn
IUPAC Name 4-(bromomethyl)-1-chloro-2-fluorobenzene
InChI Key CNUYBEIHDWMLSD-UHFFFAOYSA-N
Molecular Formula C7H5BrClF
1,577
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2-Bromothiophenol, 97%

CAS: 6320-02-1 MDL Number: MFCD00004827

CAS 6320-02-1
MDL Number MFCD00004827
1,578
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Benzyl propargyl ether, 97%

CAS: 4039-82-1 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.189 MDL Number: MFCD00483987 InChI Key: PAQVEXAFKDWGOT-UHFFFAOYSA-N Synonym: benzyl propargyl ether,benzylpropargyl ether,1-benzyloxy-2-propyne,prop-2-yn-1-yloxy methyl benzene,benzene, 2-propynyloxy methyl,prop-2-ynyloxy methyl benzene,propargylbenzyl ether,benzyloxy prop-2-yne PubChem CID: 6917484 IUPAC Name: prop-2-ynoxymethylbenzene SMILES: C#CCOCC1=CC=CC=C1

PubChem CID 6917484
CAS 4039-82-1
Molecular Weight (g/mol) 146.189
MDL Number MFCD00483987
SMILES C#CCOCC1=CC=CC=C1
Synonym benzyl propargyl ether,benzylpropargyl ether,1-benzyloxy-2-propyne,prop-2-yn-1-yloxy methyl benzene,benzene, 2-propynyloxy methyl,prop-2-ynyloxy methyl benzene,propargylbenzyl ether,benzyloxy prop-2-yne
IUPAC Name prop-2-ynoxymethylbenzene
InChI Key PAQVEXAFKDWGOT-UHFFFAOYSA-N
Molecular Formula C10H10O
1,579
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tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate, 97%

CAS: 114772-40-6 Molecular Formula: C18H19BrO2 Molecular Weight (g/mol): 347.252 MDL Number: MFCD06657561 InChI Key: YHXCWNQNVMAENQ-UHFFFAOYSA-N Synonym: 2-boc-4'-bromomethyl biphenyl,tert-butyl 4'-bromomethyl biphenyl-2-carboxylate,tert-butyl 2-4-bromomethyl phenyl benzoate,tert-butyl 4'-bromomethyl-1,1'-biphenyl-2-carboxylate,unii-me3i28o0tc,tert-butyl 4'-bromomethyl-2-biphenylcarboxylate,me3i28o0tc,telmisartan impurity h,tert-butyl 2-4-bromomethylphenyl benzoate,1,1-dimethylethyl 4'-bromomethyl biphenyl-2-carboxylate PubChem CID: 9906257 IUPAC Name: tert-butyl 2-[4-(bromomethyl)phenyl]benzoate SMILES: CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CBr

PubChem CID 9906257
CAS 114772-40-6
Molecular Weight (g/mol) 347.252
MDL Number MFCD06657561
SMILES CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CBr
Synonym 2-boc-4'-bromomethyl biphenyl,tert-butyl 4'-bromomethyl biphenyl-2-carboxylate,tert-butyl 2-4-bromomethyl phenyl benzoate,tert-butyl 4'-bromomethyl-1,1'-biphenyl-2-carboxylate,unii-me3i28o0tc,tert-butyl 4'-bromomethyl-2-biphenylcarboxylate,me3i28o0tc,telmisartan impurity h,tert-butyl 2-4-bromomethylphenyl benzoate,1,1-dimethylethyl 4'-bromomethyl biphenyl-2-carboxylate
IUPAC Name tert-butyl 2-[4-(bromomethyl)phenyl]benzoate
InChI Key YHXCWNQNVMAENQ-UHFFFAOYSA-N
Molecular Formula C18H19BrO2
1,580
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2-Hydroxy-4-methoxybenzoic acid, 98%

CAS: 2237-36-7 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00002450 InChI Key: MRIXVKKOHPQOFK-UHFFFAOYSA-N Synonym: 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b PubChem CID: 75231 IUPAC Name: 2-hydroxy-4-methoxybenzoic acid SMILES: COC1=CC=C(C(O)=O)C(O)=C1

PubChem CID 75231
CAS 2237-36-7
Molecular Weight (g/mol) 168.15
MDL Number MFCD00002450
SMILES COC1=CC=C(C(O)=O)C(O)=C1
Synonym 4-methoxysalicylic acid,2-hydroxy-p-anisic acid,2-hydroxy-4-methoxy-benzoic acid,benzoic acid, 2-hydroxy-4-methoxy,2-hydroxy-4-methoxybenzoes,4-methoxysalicylicacid,pubchem18895,4-methoxy salicylic acid,4-methoxy-salicylic acid,acmc-1cs6b
IUPAC Name 2-hydroxy-4-methoxybenzoic acid
InChI Key MRIXVKKOHPQOFK-UHFFFAOYSA-N
Molecular Formula C8H8O4
1,581
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1,2,3,4-Tetrahydro-1-naphthoic acid, 98%

CAS: 1914-65-4 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD02179127 InChI Key: VDLWTJCSPSUGOA-UHFFFAOYSA-N Synonym: 1,2,3,4-tetrahydro-1-naphthoic acid,1-naphthalenecarboxylic acid, 1,2,3,4-tetrahydro,tetralin-1-carboxylic acid,1,2,3,4-tetrahedro-naphthoic acid,1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid,chembl81606,1-tetralincarboxylic acid,1,2,3,4-tetrahydro-1-naphthalenecarboxylic acid,1,2,3,4-tetrahydronaphthalenecarboxylic acid,tetrahydronaphthoic acid PubChem CID: 12598146 IUPAC Name: 1,2,3,4-tetrahydronaphthalene-1-carboxylic acid SMILES: C1CC(C2=CC=CC=C2C1)C(=O)O

PubChem CID 12598146
CAS 1914-65-4
Molecular Weight (g/mol) 176.215
MDL Number MFCD02179127
SMILES C1CC(C2=CC=CC=C2C1)C(=O)O
Synonym 1,2,3,4-tetrahydro-1-naphthoic acid,1-naphthalenecarboxylic acid, 1,2,3,4-tetrahydro,tetralin-1-carboxylic acid,1,2,3,4-tetrahedro-naphthoic acid,1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid,chembl81606,1-tetralincarboxylic acid,1,2,3,4-tetrahydro-1-naphthalenecarboxylic acid,1,2,3,4-tetrahydronaphthalenecarboxylic acid,tetrahydronaphthoic acid
IUPAC Name 1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
InChI Key VDLWTJCSPSUGOA-UHFFFAOYSA-N
Molecular Formula C11H12O2
1,582
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4-Hydroxy-2-(trifluoromethyl)benzonitrile, 98%

CAS: 320-42-3 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.121 MDL Number: MFCD06797340 InChI Key: MDBVIOUGHSKRMT-UHFFFAOYSA-N Synonym: 4-hydroxy-2-trifluoromethyl benzonitrile,4-hydroxy-2-trifluoroemthyl benzonitrile,pubchem4807,2-cyano-5-hydroxybenzotrifluoride,4-cyano-3-trifluoromethyl phenol,4-hydroxy-2-trifluoromethyl-benzonitrile,benzonitrile, 4-hydroxy-2-trifluoromethyl,4-hydroxy-2-trifluoromethyl benzenecarbonitrile PubChem CID: 2783153 IUPAC Name: 4-hydroxy-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1O)C(F)(F)F)C#N

PubChem CID 2783153
CAS 320-42-3
Molecular Weight (g/mol) 187.121
MDL Number MFCD06797340
SMILES C1=CC(=C(C=C1O)C(F)(F)F)C#N
Synonym 4-hydroxy-2-trifluoromethyl benzonitrile,4-hydroxy-2-trifluoroemthyl benzonitrile,pubchem4807,2-cyano-5-hydroxybenzotrifluoride,4-cyano-3-trifluoromethyl phenol,4-hydroxy-2-trifluoromethyl-benzonitrile,benzonitrile, 4-hydroxy-2-trifluoromethyl,4-hydroxy-2-trifluoromethyl benzenecarbonitrile
IUPAC Name 4-hydroxy-2-(trifluoromethyl)benzonitrile
InChI Key MDBVIOUGHSKRMT-UHFFFAOYSA-N
Molecular Formula C8H4F3NO
1,583
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p-Anisic acid, 98%

CAS: 100-09-4 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002542 InChI Key: ZEYHEAKUIGZSGI-UHFFFAOYSA-N Synonym: p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer PubChem CID: 7478 ChEBI: CHEBI:40813 IUPAC Name: 4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1)C(O)=O

PubChem CID 7478
CAS 100-09-4
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:40813
MDL Number MFCD00002542
SMILES COC1=CC=C(C=C1)C(O)=O
Synonym p-anisic acid,anisic acid,p-methoxybenzoic acid,draconic acid,4-anisic acid,benzoic acid, 4-methoxy,anisic acid, para,4-methoxybenzoate,para-anisic acid,anisic acid, p-isomer
IUPAC Name 4-methoxybenzoic acid
InChI Key ZEYHEAKUIGZSGI-UHFFFAOYSA-N
Molecular Formula C8H8O3
1,584
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5-Chlorovanillic acid, tech. 90%

CAS: 62936-23-6 Molecular Formula: C8H7ClO4 Molecular Weight (g/mol): 202.59 MDL Number: MFCD00016531 InChI Key: XBRYEHVBBMSSCG-UHFFFAOYSA-N PubChem CID: 44215 IUPAC Name: 3-chloro-4-hydroxy-5-methoxybenzoic acid SMILES: COC1=C(C(=CC(=C1)C(=O)O)Cl)O

PubChem CID 44215
CAS 62936-23-6
Molecular Weight (g/mol) 202.59
MDL Number MFCD00016531
SMILES COC1=C(C(=CC(=C1)C(=O)O)Cl)O
IUPAC Name 3-chloro-4-hydroxy-5-methoxybenzoic acid
InChI Key XBRYEHVBBMSSCG-UHFFFAOYSA-N
Molecular Formula C8H7ClO4
1,585
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1,3-Di-tert-butyl-2-methoxybenzene, 99%

CAS: 1516-95-6 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.36 MDL Number: MFCD20483412 InChI Key: OGIJRUWUWSZKAV-UHFFFAOYSA-N Synonym: 1,3-di-tert-butyl-2-methoxybenzene,benzene, 1,3-bis 1,1-dimethylethyl-2-methoxy,2,6-di-tert-butylanisole PubChem CID: 12794694 IUPAC Name: 1,3-ditert-butyl-2-methoxybenzene SMILES: COC1=C(C=CC=C1C(C)(C)C)C(C)(C)C

PubChem CID 12794694
CAS 1516-95-6
Molecular Weight (g/mol) 220.36
MDL Number MFCD20483412
SMILES COC1=C(C=CC=C1C(C)(C)C)C(C)(C)C
Synonym 1,3-di-tert-butyl-2-methoxybenzene,benzene, 1,3-bis 1,1-dimethylethyl-2-methoxy,2,6-di-tert-butylanisole
IUPAC Name 1,3-ditert-butyl-2-methoxybenzene
InChI Key OGIJRUWUWSZKAV-UHFFFAOYSA-N
Molecular Formula C15H24O
1,586
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3-Bromo-4-methoxybenzoic acid, 98+%

CAS: 99-58-1 Molecular Formula: C8H6BrO3 Molecular Weight (g/mol): 230.04 MDL Number: MFCD00020295 InChI Key: BBPZABXVRBFWGD-UHFFFAOYSA-M Synonym: 3-bromo-p-anisic acid,benzoic acid, 3-bromo-4-methoxy,3-bromo-4-methoxybenzoicacid,akos bbb/210,rarechem al bo 0751,timtec-bb sbb009955,4-methoxy-3-bromo benzoic acid,3-bromanissaure,pubchem2675,2-bromo-4-carboxyanisole PubChem CID: 66836 IUPAC Name: 3-bromo-4-methoxybenzoic acid SMILES: COC1=CC=C(C=C1Br)C([O-])=O

PubChem CID 66836
CAS 99-58-1
Molecular Weight (g/mol) 230.04
MDL Number MFCD00020295
SMILES COC1=CC=C(C=C1Br)C([O-])=O
Synonym 3-bromo-p-anisic acid,benzoic acid, 3-bromo-4-methoxy,3-bromo-4-methoxybenzoicacid,akos bbb/210,rarechem al bo 0751,timtec-bb sbb009955,4-methoxy-3-bromo benzoic acid,3-bromanissaure,pubchem2675,2-bromo-4-carboxyanisole
IUPAC Name 3-bromo-4-methoxybenzoic acid
InChI Key BBPZABXVRBFWGD-UHFFFAOYSA-M
Molecular Formula C8H6BrO3
1,587
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5-Bromo-2-[3-(chloromethyl)phenyl]pyrimidine, 97%, Thermo Scientific™

CAS: 1100598-50-2 Molecular Formula: C11H8BrClN2 Molecular Weight (g/mol): 283.553 MDL Number: MFCD20527211 InChI Key: KHSZEUJOVUJWKR-UHFFFAOYSA-N Synonym: 5-bromo-2-3-chloromethyl phenyl pyrimidine,5-bromo-2-3-chloromethylphenyl pyrimidine,5-bromo-2-3-chloromethyl-phenyl-pyrimidine,pyrimidine, 5-bromo-2-3-chloromethyl phenyl PubChem CID: 59438047 IUPAC Name: 5-bromo-2-[3-(chloromethyl)phenyl]pyrimidine SMILES: C1=CC(=CC(=C1)CCl)C2=NC=C(C=N2)Br

PubChem CID 59438047
CAS 1100598-50-2
Molecular Weight (g/mol) 283.553
MDL Number MFCD20527211
SMILES C1=CC(=CC(=C1)CCl)C2=NC=C(C=N2)Br
Synonym 5-bromo-2-3-chloromethyl phenyl pyrimidine,5-bromo-2-3-chloromethylphenyl pyrimidine,5-bromo-2-3-chloromethyl-phenyl-pyrimidine,pyrimidine, 5-bromo-2-3-chloromethyl phenyl
IUPAC Name 5-bromo-2-[3-(chloromethyl)phenyl]pyrimidine
InChI Key KHSZEUJOVUJWKR-UHFFFAOYSA-N
Molecular Formula C11H8BrClN2
1,588
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(S)-2-Amino-3-benzyloxy-1-propanol hydrochloride, 98+%, Thermo Scientific Chemicals

CAS: 61366-43-6 Molecular Formula: C10H16ClNO2 Molecular Weight (g/mol): 217.69 MDL Number: MFCD07368914 InChI Key: BJWHQBTUHVIRJJ-UHFFFAOYNA-N Synonym: s-2-amino-3-benzyloxy propan-1-ol hydrochloride,s-2-amino-3-benzyloxy-1-propanol hydrochloride,2s-2-amino-3-benzyloxy propan-1-ol hydrochloride,s---2-amino-3-benzyloxy-1-propanol??hcl,s-2-amino-3-benzyloxy-propan-1-ol hydrochloride,2s-2-amino-3-benzyloxy propan-1-ol-hydrogen chloride 1/1 PubChem CID: 53338757 SMILES: Cl.NC(CO)COCC1=CC=CC=C1

PubChem CID 53338757
CAS 61366-43-6
Molecular Weight (g/mol) 217.69
MDL Number MFCD07368914
SMILES Cl.NC(CO)COCC1=CC=CC=C1
Synonym s-2-amino-3-benzyloxy propan-1-ol hydrochloride,s-2-amino-3-benzyloxy-1-propanol hydrochloride,2s-2-amino-3-benzyloxy propan-1-ol hydrochloride,s---2-amino-3-benzyloxy-1-propanol??hcl,s-2-amino-3-benzyloxy-propan-1-ol hydrochloride,2s-2-amino-3-benzyloxy propan-1-ol-hydrogen chloride 1/1
InChI Key BJWHQBTUHVIRJJ-UHFFFAOYNA-N
Molecular Formula C10H16ClNO2
1,589
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Phenyl acetate, 97%

CAS: 122-79-2 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00008699 InChI Key: IPBVNPXQWQGGJP-UHFFFAOYSA-N Synonym: acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech PubChem CID: 31229 ChEBI: CHEBI:8082 IUPAC Name: phenyl acetate SMILES: CC(=O)OC1=CC=CC=C1

PubChem CID 31229
CAS 122-79-2
Molecular Weight (g/mol) 136.15
ChEBI CHEBI:8082
MDL Number MFCD00008699
SMILES CC(=O)OC1=CC=CC=C1
Synonym acetic acid phenyl ester,phenol acetate,acetylphenol,acetic acid, phenyl ester,acetyl phenol,acetoxybenzene,acetates,acetic acid,phenyl ester,fenylester kyseliny octove,fenylester kyseliny octove czech
IUPAC Name phenyl acetate
InChI Key IPBVNPXQWQGGJP-UHFFFAOYSA-N
Molecular Formula C8H8O2
1,590
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4-Vinylbenzeneboronic acid, 97%

CAS: 2156-04-9 Molecular Formula: C8H9BO2 Molecular Weight (g/mol): 147.97 MDL Number: MFCD00239441 InChI Key: QWMJEUJXWVZSAG-UHFFFAOYSA-N Synonym: 4-vinylphenylboronic acid,4-vinylbenzeneboronic acid,4-vinylphenyl boronic acid,4-ethenylphenyl boronic acid,4-vinylboronic acid,p-styrylboronic acid,p-vinylphenylboronic acid,styrene-4-boronic acid,boronic acid, 4-ethenylphenyl,4-styreneboronic acid PubChem CID: 2734393 IUPAC Name: (4-ethenylphenyl)boronic acid SMILES: OB(O)C1=CC=C(C=C)C=C1

PubChem CID 2734393
CAS 2156-04-9
Molecular Weight (g/mol) 147.97
MDL Number MFCD00239441
SMILES OB(O)C1=CC=C(C=C)C=C1
Synonym 4-vinylphenylboronic acid,4-vinylbenzeneboronic acid,4-vinylphenyl boronic acid,4-ethenylphenyl boronic acid,4-vinylboronic acid,p-styrylboronic acid,p-vinylphenylboronic acid,styrene-4-boronic acid,boronic acid, 4-ethenylphenyl,4-styreneboronic acid
IUPAC Name (4-ethenylphenyl)boronic acid
InChI Key QWMJEUJXWVZSAG-UHFFFAOYSA-N
Molecular Formula C8H9BO2