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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 (64,925)
Phenols (11,912)
Naphthalenes (4,958)
Fluorenes (1,242)
Unsubstituted Phenols (1,173)
Thiophenols (609)
Phenol esters (426)
Anthracenes (400)
Tetralins (329)
Phenanthrenes and derivatives (300)
Triphenyl compounds (290)
Indanes (288)
Pyrenes (217)
Dibenzocycloheptenes (65)
Ellagic acids and derivatives (33)
Naphthacenes (31)
Acenaphthylenes (16)
Pentacenequinones (16)
Pentacenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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7,726 – 7,740 of 73,815 results
7,726

Diphenyl 4-Bromo-alpha-chlorobenzylphosphonate 95.0+%, TCI America™
SDP

CAS: 189099-56-7 Molecular Formula: C19H15BrClO3P Molecular Weight (g/mol): 437.654 InChI Key: ZSYMFYMYJVSPDH-UHFFFAOYSA-N Synonym: 4-Bromo-alpha-chlorobenzylphosphonic Acid Diphenyl Ester PubChem CID: 44630008 IUPAC Name: 1-bromo-4-[chloro(diphenoxyphosphoryl)methyl]benzene SMILES: C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)Br)Cl)OC3=CC=CC=C3

PubChem CID 44630008
CAS 189099-56-7
Molecular Weight (g/mol) 437.654
SMILES C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)Br)Cl)OC3=CC=CC=C3
Synonym 4-Bromo-alpha-chlorobenzylphosphonic Acid Diphenyl Ester
IUPAC Name 1-bromo-4-[chloro(diphenoxyphosphoryl)methyl]benzene
InChI Key ZSYMFYMYJVSPDH-UHFFFAOYSA-N
Molecular Formula C19H15BrClO3P
7,727

1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran (ca. 50% in Diethyl Phthalate), TCI America™
SDP

CAS: 1222-05-5 Molecular Formula: C18H26O Molecular Weight (g/mol): 258.405 MDL Number: MFCD00217003 InChI Key: ONKNPOPIGWHAQC-UHFFFAOYSA-N PubChem CID: 91497 ChEBI: CHEBI:83784 IUPAC Name: 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene SMILES: CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C

PubChem CID 91497
CAS 1222-05-5
Molecular Weight (g/mol) 258.405
ChEBI CHEBI:83784
MDL Number MFCD00217003
SMILES CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C
IUPAC Name 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene
InChI Key ONKNPOPIGWHAQC-UHFFFAOYSA-N
Molecular Formula C18H26O
7,728

3-Chloro-2-nitrotoluene 96.0+%, TCI America™
SDP

CAS: 5367-26-0 Molecular Formula: C15H22N2O4 Molecular Weight (g/mol): 294.35 MDL Number: MFCD04117977 InChI Key: QTKPBWWPUDOQGJ-UHFFFAOYSA-N PubChem CID: 79328 IUPAC Name: 4-[5-(4-nitrophenoxy)pentyl]morpholine SMILES: [O-][N+](=O)C1=CC=C(OCCCCCN2CCOCC2)C=C1

PubChem CID 79328
CAS 5367-26-0
Molecular Weight (g/mol) 294.35
MDL Number MFCD04117977
SMILES [O-][N+](=O)C1=CC=C(OCCCCCN2CCOCC2)C=C1
IUPAC Name 4-[5-(4-nitrophenoxy)pentyl]morpholine
InChI Key QTKPBWWPUDOQGJ-UHFFFAOYSA-N
Molecular Formula C15H22N2O4
7,729

4-Nitrobenzoic Acid 99.0+%, TCI America™
SDP

CAS: 62-23-7 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

PubChem CID 6108
CAS 62-23-7
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:262350
MDL Number MFCD00007352
SMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Synonym 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova
InChI Key OTLNPYWUJOZPPA-UHFFFAOYSA-N
Molecular Formula C7H5NO4
7,730

(3R,4R)-1-Benzyl-4-hydroxy-3-pyrrolidinemethanol 96.0+%, TCI America™
SDP

CAS: 253129-03-2 Molecular Formula: C12H17NO2 Molecular Weight (g/mol): 207.273 InChI Key: XQYUBSUGHRDQSN-NEPJUHHUSA-N PubChem CID: 11579361 IUPAC Name: (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol SMILES: C1C(C(CN1CC2=CC=CC=C2)O)CO

PubChem CID 11579361
CAS 253129-03-2
Molecular Weight (g/mol) 207.273
SMILES C1C(C(CN1CC2=CC=CC=C2)O)CO
IUPAC Name (3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
InChI Key XQYUBSUGHRDQSN-NEPJUHHUSA-N
Molecular Formula C12H17NO2
7,731

2,2'-(2-Vinylanthracene-9,10-diylidene)bis(1,3-dithiole) 98.0+%, TCI America™
SDP

CAS: 736998-56-4 Molecular Formula: C22H14S4 Molecular Weight (g/mol): 406.594 InChI Key: PVHQRJPHCJRMKB-UHFFFAOYSA-N Synonym: 9,10-Bis(1,3-dithiol-2-ylidene)-2-vinylanthracene PubChem CID: 11384232 IUPAC Name: 2-[10-(1,3-dithiol-2-ylidene)-2-ethenylanthracen-9-ylidene]-1,3-dithiole SMILES: C=CC1=CC2=C(C=C1)C(=C3SC=CS3)C4=CC=CC=C4C2=C5SC=CS5

PubChem CID 11384232
CAS 736998-56-4
Molecular Weight (g/mol) 406.594
SMILES C=CC1=CC2=C(C=C1)C(=C3SC=CS3)C4=CC=CC=C4C2=C5SC=CS5
Synonym 9,10-Bis(1,3-dithiol-2-ylidene)-2-vinylanthracene
IUPAC Name 2-[10-(1,3-dithiol-2-ylidene)-2-ethenylanthracen-9-ylidene]-1,3-dithiole
InChI Key PVHQRJPHCJRMKB-UHFFFAOYSA-N
Molecular Formula C22H14S4
7,732

N-Ethyl-m-toluidine 98.0+%, TCI America™
SDP

CAS: 102-27-2 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00009027 InChI Key: GUYMMHOQXYZMJQ-UHFFFAOYSA-N Synonym: n-ethyl-m-toluidine,benzenamine, n-ethyl-3-methyl,m-toluidine, n-ethyl,m-methyl-n-ethylaniline,n-ethyl-3-methylbenzenamine,unii-12k193mtcr,3-ethylamino toluene,n-ethyl-meta-toluidine,n-ethyl-3-methyl-aniline,toluene, 3-ethylamino PubChem CID: 7603 IUPAC Name: N-ethyl-3-methylaniline SMILES: CCNC1=CC=CC(C)=C1

PubChem CID 7603
CAS 102-27-2
Molecular Weight (g/mol) 135.21
MDL Number MFCD00009027
SMILES CCNC1=CC=CC(C)=C1
Synonym n-ethyl-m-toluidine,benzenamine, n-ethyl-3-methyl,m-toluidine, n-ethyl,m-methyl-n-ethylaniline,n-ethyl-3-methylbenzenamine,unii-12k193mtcr,3-ethylamino toluene,n-ethyl-meta-toluidine,n-ethyl-3-methyl-aniline,toluene, 3-ethylamino
IUPAC Name N-ethyl-3-methylaniline
InChI Key GUYMMHOQXYZMJQ-UHFFFAOYSA-N
Molecular Formula C9H13N
7,733

5,6-Difluoro-o-anisaldehyde 97.0+%, TCI America™
SDP

CAS: 187543-87-9 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD02093968 InChI Key: AKOJAYHBKACKNJ-UHFFFAOYSA-N Synonym: 5,6-difluoro-o-anisaldehyde,2,3-difluoro-6-methoxy-benzaldehyde,3,4-difluoro-2-formylanisole,pubchem2902,acmc-1bwkg,2-methoxy-5,6-difluorobenzaldehyde,2-methoxy-5,6-difluoro-benzaldehyde,2,3-difluoro-6-methyloxy benzaldehyde,benzaldehyde, 2,3-difluoro-6-methoxy,2,3-bis fluoranyl-6-methoxy-benzaldehyde PubChem CID: 2774112 IUPAC Name: 2,3-difluoro-6-methoxybenzaldehyde SMILES: COC1=C(C(=C(C=C1)F)F)C=O

PubChem CID 2774112
CAS 187543-87-9
Molecular Weight (g/mol) 172.131
MDL Number MFCD02093968
SMILES COC1=C(C(=C(C=C1)F)F)C=O
Synonym 5,6-difluoro-o-anisaldehyde,2,3-difluoro-6-methoxy-benzaldehyde,3,4-difluoro-2-formylanisole,pubchem2902,acmc-1bwkg,2-methoxy-5,6-difluorobenzaldehyde,2-methoxy-5,6-difluoro-benzaldehyde,2,3-difluoro-6-methyloxy benzaldehyde,benzaldehyde, 2,3-difluoro-6-methoxy,2,3-bis fluoranyl-6-methoxy-benzaldehyde
IUPAC Name 2,3-difluoro-6-methoxybenzaldehyde
InChI Key AKOJAYHBKACKNJ-UHFFFAOYSA-N
Molecular Formula C8H6F2O2
7,734

2,3,4,4'-Tetrahydroxybenzophenone 98.0+%, TCI America™
SDP

CAS: 31127-54-5 Molecular Formula: C13H10O5 Molecular Weight (g/mol): 246.218 MDL Number: MFCD00083097 InChI Key: ZRDYULMDEGRWRC-UHFFFAOYSA-N PubChem CID: 919792 IUPAC Name: (4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone SMILES: C1=CC(=CC=C1C(=O)C2=C(C(=C(C=C2)O)O)O)O

PubChem CID 919792
CAS 31127-54-5
Molecular Weight (g/mol) 246.218
MDL Number MFCD00083097
SMILES C1=CC(=CC=C1C(=O)C2=C(C(=C(C=C2)O)O)O)O
IUPAC Name (4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
InChI Key ZRDYULMDEGRWRC-UHFFFAOYSA-N
Molecular Formula C13H10O5
7,735

3-(Difluoromethoxy)aniline 98.0+%, TCI America™
SDP

CAS: 22236-08-4 Molecular Formula: C7H7F2NO Molecular Weight (g/mol): 159.14 MDL Number: MFCD00236221 InChI Key: RSOFZRXRIPVBBM-UHFFFAOYSA-N Synonym: 3-difluoromethoxy aniline,m-difluoromethoxyaniline,benzenamine, 3-difluoromethoxy,3-amino-alpha,alpha-difluoroanisole,3-difluoromethoxy phenylamine,pubchem8466,acmc-1ckmq,a,a-difluoro-m-anisidine,3-difluoromethoxyphenylamine PubChem CID: 2774110 IUPAC Name: 3-(difluoromethoxy)aniline SMILES: NC1=CC(OC(F)F)=CC=C1

PubChem CID 2774110
CAS 22236-08-4
Molecular Weight (g/mol) 159.14
MDL Number MFCD00236221
SMILES NC1=CC(OC(F)F)=CC=C1
Synonym 3-difluoromethoxy aniline,m-difluoromethoxyaniline,benzenamine, 3-difluoromethoxy,3-amino-alpha,alpha-difluoroanisole,3-difluoromethoxy phenylamine,pubchem8466,acmc-1ckmq,a,a-difluoro-m-anisidine,3-difluoromethoxyphenylamine
IUPAC Name 3-(difluoromethoxy)aniline
InChI Key RSOFZRXRIPVBBM-UHFFFAOYSA-N
Molecular Formula C7H7F2NO
7,736

4-(Difluoromethoxy)benzonitrile 98.0+%, TCI America™
SDP

CAS: 90446-25-6 Molecular Formula: C8H5F2NO Molecular Weight (g/mol): 169.131 MDL Number: MFCD00085006 InChI Key: OGMOYCCCAFJQKI-UHFFFAOYSA-N Synonym: 1-Cyano-4-(difluoromethoxy)benzene PubChem CID: 2736990 IUPAC Name: 4-(difluoromethoxy)benzonitrile SMILES: C1=CC(=CC=C1C#N)OC(F)F

PubChem CID 2736990
CAS 90446-25-6
Molecular Weight (g/mol) 169.131
MDL Number MFCD00085006
SMILES C1=CC(=CC=C1C#N)OC(F)F
Synonym 1-Cyano-4-(difluoromethoxy)benzene
IUPAC Name 4-(difluoromethoxy)benzonitrile
InChI Key OGMOYCCCAFJQKI-UHFFFAOYSA-N
Molecular Formula C8H5F2NO
7,737

5-Methoxy-2-nitrobenzoic Acid 97.0+%, TCI America™
SDP

CAS: 1882-69-5 Molecular Formula: C8H6NO5 Molecular Weight (g/mol): 196.14 MDL Number: MFCD00151836 InChI Key: URADKXVAIGMTEG-UHFFFAOYSA-M Synonym: 5-methoxy-2-nitrobenzoic acid,2-nitro-5-methoxybenzoic acid,6-nitro-m-anisic acid,5-methoxy-2-nitro-benzoic acid,benzoic acid, 5-methoxy-2-nitro,pubchem4229,acmc-1brd6,2-nitro-5-methoxybenzoate,2-nitro-5-methoxybenzoicacid,5-methoxy-2-nitrobenzoicacid PubChem CID: 339209 IUPAC Name: 5-methoxy-2-nitrobenzoate SMILES: COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O

PubChem CID 339209
CAS 1882-69-5
Molecular Weight (g/mol) 196.14
MDL Number MFCD00151836
SMILES COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O
Synonym 5-methoxy-2-nitrobenzoic acid,2-nitro-5-methoxybenzoic acid,6-nitro-m-anisic acid,5-methoxy-2-nitro-benzoic acid,benzoic acid, 5-methoxy-2-nitro,pubchem4229,acmc-1brd6,2-nitro-5-methoxybenzoate,2-nitro-5-methoxybenzoicacid,5-methoxy-2-nitrobenzoicacid
IUPAC Name 5-methoxy-2-nitrobenzoate
InChI Key URADKXVAIGMTEG-UHFFFAOYSA-M
Molecular Formula C8H6NO5
7,738

1-(4-Trifluoromethylbenzyl)piperazine 97.0+%, TCI America™
SDP

CAS: 107890-32-4 Molecular Formula: C12H17F3N2 Molecular Weight (g/mol): 246.28 MDL Number: MFCD03407490 InChI Key: FAFAFWFQFVLXGF-UHFFFAOYSA-P PubChem CID: 2782803 IUPAC Name: 4-{[4-(trifluoromethyl)phenyl]methyl}piperazine-1,4-diium SMILES: FC(F)(F)C1=CC=C(C[NH+]2CC[NH2+]CC2)C=C1

PubChem CID 2782803
CAS 107890-32-4
Molecular Weight (g/mol) 246.28
MDL Number MFCD03407490
SMILES FC(F)(F)C1=CC=C(C[NH+]2CC[NH2+]CC2)C=C1
IUPAC Name 4-{[4-(trifluoromethyl)phenyl]methyl}piperazine-1,4-diium
InChI Key FAFAFWFQFVLXGF-UHFFFAOYSA-P
Molecular Formula C12H17F3N2
7,739

3-Amino-N-methylbenzamide 98.0+%, TCI America™
SDP

CAS: 25900-61-2 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00070630 InChI Key: PYDQTASEULDNRL-UHFFFAOYSA-N Synonym: 3-Aminobenzoylmethylamide PubChem CID: 676526 IUPAC Name: 3-amino-N-methylbenzamide SMILES: CNC(=O)C1=CC(=CC=C1)N

PubChem CID 676526
CAS 25900-61-2
Molecular Weight (g/mol) 150.181
MDL Number MFCD00070630
SMILES CNC(=O)C1=CC(=CC=C1)N
Synonym 3-Aminobenzoylmethylamide
IUPAC Name 3-amino-N-methylbenzamide
InChI Key PYDQTASEULDNRL-UHFFFAOYSA-N
Molecular Formula C8H10N2O
7,740

3-Fluorostyrene (stabilized with TBC) 97.0+%, TCI America™
SDP

CAS: 350-51-6 Molecular Formula: C8H7F Molecular Weight (g/mol): 122.142 MDL Number: MFCD00000341 InChI Key: ZJSKEGAHBAHFON-UHFFFAOYSA-N Synonym: 3-fluorostyrene,1-fluoro-3-vinylbenzene,m-fluorostyrene,benzene, 1-ethenyl-3-fluoro,1-ethenyl-3-fluoro-benzene,3-fluoro-styrene,acmc-1crku,1-fluoro-3-vinyl-benzene,1-fluoro-3-vinylbenzene #,3-fluorostyrene, contains 4-tert-butylcatechol as inhibitor PubChem CID: 67691 IUPAC Name: 1-ethenyl-3-fluorobenzene SMILES: C=CC1=CC(=CC=C1)F

PubChem CID 67691
CAS 350-51-6
Molecular Weight (g/mol) 122.142
MDL Number MFCD00000341
SMILES C=CC1=CC(=CC=C1)F
Synonym 3-fluorostyrene,1-fluoro-3-vinylbenzene,m-fluorostyrene,benzene, 1-ethenyl-3-fluoro,1-ethenyl-3-fluoro-benzene,3-fluoro-styrene,acmc-1crku,1-fluoro-3-vinyl-benzene,1-fluoro-3-vinylbenzene #,3-fluorostyrene, contains 4-tert-butylcatechol as inhibitor
IUPAC Name 1-ethenyl-3-fluorobenzene
InChI Key ZJSKEGAHBAHFON-UHFFFAOYSA-N
Molecular Formula C8H7F