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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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10,126 – 10,140 of 78,441 results
10,126

5-Chloro-2-methoxytoluene 97.0+%, TCI America™

CAS: 3260-85-3 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.609 MDL Number: MFCD00070771 InChI Key: VDYDAUQHTVCCBX-UHFFFAOYSA-N Synonym: 4-chloro-2-methylanisole,5-chloro-2-methoxytoluene,unii-7g3kq2a26k,2-methyl-4-chloroanisole,labotest-bb ltbb003018,labotest-bb lt03497723,4-chloro-1-methoxy-2-methyl-benzene,4-chloro-2-methyl anisole,pubchem2665,benzene, 4-chloro-1-methoxy-2-methyl PubChem CID: 76748 IUPAC Name: 4-chloro-1-methoxy-2-methylbenzene SMILES: CC1=C(C=CC(=C1)Cl)OC

PubChem CID 76748
CAS 3260-85-3
Molecular Weight (g/mol) 156.609
MDL Number MFCD00070771
SMILES CC1=C(C=CC(=C1)Cl)OC
Synonym 4-chloro-2-methylanisole,5-chloro-2-methoxytoluene,unii-7g3kq2a26k,2-methyl-4-chloroanisole,labotest-bb ltbb003018,labotest-bb lt03497723,4-chloro-1-methoxy-2-methyl-benzene,4-chloro-2-methyl anisole,pubchem2665,benzene, 4-chloro-1-methoxy-2-methyl
IUPAC Name 4-chloro-1-methoxy-2-methylbenzene
InChI Key VDYDAUQHTVCCBX-UHFFFAOYSA-N
Molecular Formula C8H9ClO
10,127

5-Bromo-2-fluorobenzoic Acid 97.0+%, TCI America™

CAS: 146328-85-0 Molecular Formula: C7H4BrFO2 Molecular Weight (g/mol): 219.009 MDL Number: MFCD00143423 InChI Key: PEXAZYDITWXYNJ-UHFFFAOYSA-N Synonym: 2-fluoro-5-bromobenzoic acid,5-bromo-2-fluoro-benzoic acid,buttpark 19\01-67,benzoic acid, 5-bromo-2-fluoro,3-bromo-6-fluoro-benzoic acid,pubchem1312,acmc-209cww,3-bromo-6-fluorobenzoic acid,ksc183q6j,rarechem al bo 0757 PubChem CID: 2736315 IUPAC Name: 5-bromo-2-fluorobenzoic acid SMILES: C1=CC(=C(C=C1Br)C(=O)O)F

PubChem CID 2736315
CAS 146328-85-0
Molecular Weight (g/mol) 219.009
MDL Number MFCD00143423
SMILES C1=CC(=C(C=C1Br)C(=O)O)F
Synonym 2-fluoro-5-bromobenzoic acid,5-bromo-2-fluoro-benzoic acid,buttpark 19\01-67,benzoic acid, 5-bromo-2-fluoro,3-bromo-6-fluoro-benzoic acid,pubchem1312,acmc-209cww,3-bromo-6-fluorobenzoic acid,ksc183q6j,rarechem al bo 0757
IUPAC Name 5-bromo-2-fluorobenzoic acid
InChI Key PEXAZYDITWXYNJ-UHFFFAOYSA-N
Molecular Formula C7H4BrFO2
10,128

2,3,5-Triiodobenzoic Acid 98.0+%, TCI America™

CAS: 88-82-4 Molecular Formula: C7H3I3O2 Molecular Weight (g/mol): 499.81 MDL Number: MFCD00002420 InChI Key: ZMZGFLUUZLELNE-UHFFFAOYSA-N Synonym: floraltone,tiba,triiodobenzoic acid,johnkolor,benzoic acid, 2,3,5-triiodo,2,3,5-tiba,caswell no. 890a,triiodobenzoic acid van,regin 8,kyselina 2,3,5-trijodbenzoova PubChem CID: 6948 ChEBI: CHEBI:73175 IUPAC Name: 2,3,5-triiodobenzoic acid SMILES: OC(=O)C1=CC(I)=CC(I)=C1I

PubChem CID 6948
CAS 88-82-4
Molecular Weight (g/mol) 499.81
ChEBI CHEBI:73175
MDL Number MFCD00002420
SMILES OC(=O)C1=CC(I)=CC(I)=C1I
Synonym floraltone,tiba,triiodobenzoic acid,johnkolor,benzoic acid, 2,3,5-triiodo,2,3,5-tiba,caswell no. 890a,triiodobenzoic acid van,regin 8,kyselina 2,3,5-trijodbenzoova
IUPAC Name 2,3,5-triiodobenzoic acid
InChI Key ZMZGFLUUZLELNE-UHFFFAOYSA-N
Molecular Formula C7H3I3O2
10,129

Allyl Phenoxyacetate 98.0+%, TCI America™

CAS: 7493-74-5 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00044632 InChI Key: VUFZVGQUAVDKMC-UHFFFAOYSA-N Synonym: allyl phenoxyacetate,allyl 2-phenoxyacetate,acetic acid, phenoxy-, 2-propenyl ester,acetate p.a.,acetate pa,phenoxyacetic acid allyl ester,2-propenyl phenoxyacetate,unii-q3p8uaf9we,acetic acid, phenoxy-, allyl ester,acetate p.a PubChem CID: 24117 IUPAC Name: prop-2-enyl 2-phenoxyacetate SMILES: C=CCOC(=O)COC1=CC=CC=C1

PubChem CID 24117
CAS 7493-74-5
Molecular Weight (g/mol) 192.214
MDL Number MFCD00044632
SMILES C=CCOC(=O)COC1=CC=CC=C1
Synonym allyl phenoxyacetate,allyl 2-phenoxyacetate,acetic acid, phenoxy-, 2-propenyl ester,acetate p.a.,acetate pa,phenoxyacetic acid allyl ester,2-propenyl phenoxyacetate,unii-q3p8uaf9we,acetic acid, phenoxy-, allyl ester,acetate p.a
IUPAC Name prop-2-enyl 2-phenoxyacetate
InChI Key VUFZVGQUAVDKMC-UHFFFAOYSA-N
Molecular Formula C11H12O3
10,130

4-Amyloxybenzoic Acid 98.0+%, TCI America™

CAS: 15872-41-0 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00013990 InChI Key: OZPPUPJQRJYTNY-UHFFFAOYSA-N Synonym: 4-pentyloxybenzoic acid,4-pentyloxy benzoic acid,4-n-pentyloxybenzoic acid,benzoic acid, 4-pentyloxy,p-pentyloxybenzoic acid,4-n-amyloxybenzoic acid,p-pentoxybenzoic acid,p-n-pentyloxybenzoic acid,4-amyloxybenzoic acid,p-pentyloxy benzoic acid PubChem CID: 85153 IUPAC Name: 4-pentoxybenzoic acid SMILES: CCCCCOC1=CC=C(C=C1)C(=O)O

PubChem CID 85153
CAS 15872-41-0
Molecular Weight (g/mol) 208.257
MDL Number MFCD00013990
SMILES CCCCCOC1=CC=C(C=C1)C(=O)O
Synonym 4-pentyloxybenzoic acid,4-pentyloxy benzoic acid,4-n-pentyloxybenzoic acid,benzoic acid, 4-pentyloxy,p-pentyloxybenzoic acid,4-n-amyloxybenzoic acid,p-pentoxybenzoic acid,p-n-pentyloxybenzoic acid,4-amyloxybenzoic acid,p-pentyloxy benzoic acid
IUPAC Name 4-pentoxybenzoic acid
InChI Key OZPPUPJQRJYTNY-UHFFFAOYSA-N
Molecular Formula C12H16O3
10,131

4-Dimethylamino-4'-nitrostilbene 98.0+%, TCI America™

CAS: 4584-57-0 Molecular Formula: C16H16N2O2 Molecular Weight (g/mol): 268.32 MDL Number: MFCD00041877 InChI Key: NVLSIZITFJRWPY-ONEGZZNKSA-N Synonym: 4-dimethylamino-4'-nitrostilbene,amino-nitrostilbene,dans,n,n-dimethyl-4-2-4-nitrophenyl vinyl aniline,benzenamine, n,n-dimethyl-4-2-4-nitrophenyl ethenyl,1,4-dimethylamino-4-nitrostilbene,ccris 2642,n,n-dimethyl-4-4-nitrostyryl aniline,e-n,n-dimethyl-4-4-nitrostyryl aniline,n,n-dimethyl-4-2-4-nitrophenyl ethenyl aniline PubChem CID: 5377793 IUPAC Name: N,N-dimethyl-4-[(1E)-2-(4-nitrophenyl)ethenyl]aniline SMILES: CN(C)C1=CC=C(\C=C\C2=CC=C(C=C2)[N+]([O-])=O)C=C1

PubChem CID 5377793
CAS 4584-57-0
Molecular Weight (g/mol) 268.32
MDL Number MFCD00041877
SMILES CN(C)C1=CC=C(\C=C\C2=CC=C(C=C2)[N+]([O-])=O)C=C1
Synonym 4-dimethylamino-4'-nitrostilbene,amino-nitrostilbene,dans,n,n-dimethyl-4-2-4-nitrophenyl vinyl aniline,benzenamine, n,n-dimethyl-4-2-4-nitrophenyl ethenyl,1,4-dimethylamino-4-nitrostilbene,ccris 2642,n,n-dimethyl-4-4-nitrostyryl aniline,e-n,n-dimethyl-4-4-nitrostyryl aniline,n,n-dimethyl-4-2-4-nitrophenyl ethenyl aniline
IUPAC Name N,N-dimethyl-4-[(1E)-2-(4-nitrophenyl)ethenyl]aniline
InChI Key NVLSIZITFJRWPY-ONEGZZNKSA-N
Molecular Formula C16H16N2O2
10,132

Ospemifene 98.0+%, TCI America™

CAS: 128607-22-7 Molecular Formula: C24H23ClO2 Molecular Weight (g/mol): 378.896 MDL Number: MFCD00871890 InChI Key: LUMKNAVTFCDUIE-VHXPQNKSSA-N PubChem CID: 3036505 ChEBI: CHEBI:73275 IUPAC Name: 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol SMILES: C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)CCCl

PubChem CID 3036505
CAS 128607-22-7
Molecular Weight (g/mol) 378.896
ChEBI CHEBI:73275
MDL Number MFCD00871890
SMILES C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)CCCl
IUPAC Name 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol
InChI Key LUMKNAVTFCDUIE-VHXPQNKSSA-N
Molecular Formula C24H23ClO2
10,133

N-(4-Aminobutyl)-2-naphthalenesulfonamide Hydrochloride 98.0+%, TCI America™

CAS: 89108-46-3 Molecular Formula: C14H19ClN2O2S Molecular Weight (g/mol): 314.828 MDL Number: MFCD00058052 InChI Key: WYFVKUWCEVMLOL-UHFFFAOYSA-N Synonym: W-12 Hydrochloride PubChem CID: 9839864 IUPAC Name: N-(4-aminobutyl)naphthalene-2-sulfonamide;hydrochloride SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCN.Cl

PubChem CID 9839864
CAS 89108-46-3
Molecular Weight (g/mol) 314.828
MDL Number MFCD00058052
SMILES C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCN.Cl
Synonym W-12 Hydrochloride
IUPAC Name N-(4-aminobutyl)naphthalene-2-sulfonamide;hydrochloride
InChI Key WYFVKUWCEVMLOL-UHFFFAOYSA-N
Molecular Formula C14H19ClN2O2S
10,134

4'-Bromosalicylanilide 98.0+%, TCI America™

CAS: 2627-77-2 Molecular Formula: C13H10BrNO2 Molecular Weight (g/mol): 292.13 MDL Number: MFCD00059615 InChI Key: DKQMTUHJJPFJRL-UHFFFAOYSA-N Synonym: 4′C-Bromo-2-hydroxybenzanilide PubChem CID: 75817 IUPAC Name: N-(4-bromophenyl)-2-hydroxybenzamide SMILES: OC1=CC=CC=C1C(=O)NC1=CC=C(Br)C=C1

PubChem CID 75817
CAS 2627-77-2
Molecular Weight (g/mol) 292.13
MDL Number MFCD00059615
SMILES OC1=CC=CC=C1C(=O)NC1=CC=C(Br)C=C1
Synonym 4′C-Bromo-2-hydroxybenzanilide
IUPAC Name N-(4-bromophenyl)-2-hydroxybenzamide
InChI Key DKQMTUHJJPFJRL-UHFFFAOYSA-N
Molecular Formula C13H10BrNO2
10,135

3,5-Dimethoxybenzoic Acid 98.0+%, TCI America™

CAS: 1132-21-4 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002502 InChI Key: IWPZKOJSYQZABD-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-dimethoxy,unii-38my78eckk,3,5-dimethoxy benzoic acid,38my78eckk,pubchem3121,3,5-dimethoxybenzoicacid,acmc-1c4zl,3,5-dimethoxy-benzoic acid,ksc176m0p,benzoicacid, 3,5-dimethoxy PubChem CID: 14332 IUPAC Name: 3,5-dimethoxybenzoic acid SMILES: COC1=CC(=CC(OC)=C1)C(O)=O

PubChem CID 14332
CAS 1132-21-4
Molecular Weight (g/mol) 182.18
MDL Number MFCD00002502
SMILES COC1=CC(=CC(OC)=C1)C(O)=O
Synonym benzoic acid, 3,5-dimethoxy,unii-38my78eckk,3,5-dimethoxy benzoic acid,38my78eckk,pubchem3121,3,5-dimethoxybenzoicacid,acmc-1c4zl,3,5-dimethoxy-benzoic acid,ksc176m0p,benzoicacid, 3,5-dimethoxy
IUPAC Name 3,5-dimethoxybenzoic acid
InChI Key IWPZKOJSYQZABD-UHFFFAOYSA-N
Molecular Formula C9H10O4
10,136

3-Nitro-p-cresol 98.0+%, TCI America™

CAS: 2042-14-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007244 InChI Key: BQEXDUKMTVYBRK-UHFFFAOYSA-N Synonym: 3-nitro-4-methylphenol,3-nitro-p-cresol,4-methyl-3-nitro-phenol,4-hydroxy-2-nitrotoluene,2-nitro-4-hydroxytoluene,phenol, 4-methyl-3-nitro,p-cresol, 3-nitro,unii-4b422hud6h,4-methyl-5-nitrophenol PubChem CID: 16271 IUPAC Name: 4-methyl-3-nitrophenol SMILES: CC1=C(C=C(C=C1)O)[N+](=O)[O-]

PubChem CID 16271
CAS 2042-14-0
Molecular Weight (g/mol) 153.137
MDL Number MFCD00007244
SMILES CC1=C(C=C(C=C1)O)[N+](=O)[O-]
Synonym 3-nitro-4-methylphenol,3-nitro-p-cresol,4-methyl-3-nitro-phenol,4-hydroxy-2-nitrotoluene,2-nitro-4-hydroxytoluene,phenol, 4-methyl-3-nitro,p-cresol, 3-nitro,unii-4b422hud6h,4-methyl-5-nitrophenol
IUPAC Name 4-methyl-3-nitrophenol
InChI Key BQEXDUKMTVYBRK-UHFFFAOYSA-N
Molecular Formula C7H7NO3
10,137

2,4,5-Trimethylbenzaldehyde 97.0+%, TCI America™

CAS: 5779-72-6 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00017713 InChI Key: LROJZZICACKNJL-UHFFFAOYSA-N PubChem CID: 22013 IUPAC Name: 2,4,5-trimethylbenzaldehyde SMILES: CC1=CC(C)=C(C=O)C=C1C

PubChem CID 22013
CAS 5779-72-6
Molecular Weight (g/mol) 148.21
MDL Number MFCD00017713
SMILES CC1=CC(C)=C(C=O)C=C1C
IUPAC Name 2,4,5-trimethylbenzaldehyde
InChI Key LROJZZICACKNJL-UHFFFAOYSA-N
Molecular Formula C10H12O
10,138

1,4-Dibromo-2,5-dimethoxybenzene 98.0+%, TCI America™

CAS: 2674-34-2 Molecular Formula: C8H8Br2O2 Molecular Weight (g/mol): 295.958 MDL Number: MFCD00025694 InChI Key: CHCLRVOURKGRSW-UHFFFAOYSA-N Synonym: 2,5-dibromo-1,4-dimethoxybenzene,1,4-dibromo-2,5-dimethoxy-benzene,2,5-dibromohydroquinone dimethyl ether,benzene, 1,4-dibromo-2,5-dimethoxy,pubchem16840,acmc-209gsv,maybridge1_005131,ksc496i0h,2,5-dibromo-4-methoxyanisole,1,4-dibromo-3,6-dimethoxybenzene PubChem CID: 231240 IUPAC Name: 1,4-dibromo-2,5-dimethoxybenzene SMILES: COC1=CC(=C(C=C1Br)OC)Br

PubChem CID 231240
CAS 2674-34-2
Molecular Weight (g/mol) 295.958
MDL Number MFCD00025694
SMILES COC1=CC(=C(C=C1Br)OC)Br
Synonym 2,5-dibromo-1,4-dimethoxybenzene,1,4-dibromo-2,5-dimethoxy-benzene,2,5-dibromohydroquinone dimethyl ether,benzene, 1,4-dibromo-2,5-dimethoxy,pubchem16840,acmc-209gsv,maybridge1_005131,ksc496i0h,2,5-dibromo-4-methoxyanisole,1,4-dibromo-3,6-dimethoxybenzene
IUPAC Name 1,4-dibromo-2,5-dimethoxybenzene
InChI Key CHCLRVOURKGRSW-UHFFFAOYSA-N
Molecular Formula C8H8Br2O2
10,139

N-(tert-Butoxycarbonyl)tyramine 97.0+%, TCI America™

CAS: 64318-28-1 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD05864730 InChI Key: ILNOTKMMDBWGOK-UHFFFAOYSA-N Synonym: N-Boc-tyramine, N-(tert-Butoxycarbonyl)-4-hydroxyphenethylamine, N-Boc-4-hydroxyphenethylamine PubChem CID: 11831452 IUPAC Name: tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate SMILES: CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)O

PubChem CID 11831452
CAS 64318-28-1
Molecular Weight (g/mol) 237.299
MDL Number MFCD05864730
SMILES CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)O
Synonym N-Boc-tyramine, N-(tert-Butoxycarbonyl)-4-hydroxyphenethylamine, N-Boc-4-hydroxyphenethylamine
IUPAC Name tert-butyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
InChI Key ILNOTKMMDBWGOK-UHFFFAOYSA-N
Molecular Formula C13H19NO3
10,140

4-Fluoro-2-iodoaniline 98.0+%, TCI America™

CAS: 61272-76-2 Molecular Formula: C6H5FIN Molecular Weight (g/mol): 237.02 MDL Number: MFCD00042584 InChI Key: SETOTRGVPANENO-UHFFFAOYSA-N Synonym: 2-iodo-4-fluoroaniline,4-fluoro-2-indoaniline,4-fluoro-2-iodoanline,4-fluoro-2-iodo-aniline,4-fluoro-2-iodophenylamine,4-fluoro-2-iodo-phenylamine,benzenamine, 4-fluoro-2-iodo,zlchem 368,pubchem3413,2-iodo-4-fluoro-aniline PubChem CID: 2778283 IUPAC Name: 4-fluoro-2-iodoaniline SMILES: NC1=C(I)C=C(F)C=C1

PubChem CID 2778283
CAS 61272-76-2
Molecular Weight (g/mol) 237.02
MDL Number MFCD00042584
SMILES NC1=C(I)C=C(F)C=C1
Synonym 2-iodo-4-fluoroaniline,4-fluoro-2-indoaniline,4-fluoro-2-iodoanline,4-fluoro-2-iodo-aniline,4-fluoro-2-iodophenylamine,4-fluoro-2-iodo-phenylamine,benzenamine, 4-fluoro-2-iodo,zlchem 368,pubchem3413,2-iodo-4-fluoro-aniline
IUPAC Name 4-fluoro-2-iodoaniline
InChI Key SETOTRGVPANENO-UHFFFAOYSA-N
Molecular Formula C6H5FIN