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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 (67,704)
Phenols (13,502)
Naphthalenes (5,073)
Fluorenes (1,235)
Unsubstituted Phenols (1,165)
Thiophenols (617)
Phenol esters (564)
Anthracenes (413)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (278)
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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3,301 – 3,315 of 78,615 results
3,301

3-Chloro-4-fluorophenyl isocyanate, 98%

CAS: 50529-33-4 Molecular Formula: C7H3ClFNO Molecular Weight (g/mol): 171.555 MDL Number: MFCD00037037 InChI Key: XVIPJBUXMFLHSI-UHFFFAOYSA-N Synonym: 3-chloro-4-fluorophenyl isocyanate,3-chloro-4-fluorophenylisocyanate,benzene, 2-chloro-1-fluoro-4-isocyanato,3-chloro-4-fluorobenzenisocyanate,pubchem5024,acmc-20an6r,3-chloro-4-fluoro-phenylisocyanate,3-chloro-4-fluorophenyl-isocyanate,3-chloro-4-fluoro phenyl isocyanate PubChem CID: 2734632 IUPAC Name: 2-chloro-1-fluoro-4-isocyanatobenzene SMILES: C1=CC(=C(C=C1N=C=O)Cl)F

PubChem CID 2734632
CAS 50529-33-4
Molecular Weight (g/mol) 171.555
MDL Number MFCD00037037
SMILES C1=CC(=C(C=C1N=C=O)Cl)F
Synonym 3-chloro-4-fluorophenyl isocyanate,3-chloro-4-fluorophenylisocyanate,benzene, 2-chloro-1-fluoro-4-isocyanato,3-chloro-4-fluorobenzenisocyanate,pubchem5024,acmc-20an6r,3-chloro-4-fluoro-phenylisocyanate,3-chloro-4-fluorophenyl-isocyanate,3-chloro-4-fluoro phenyl isocyanate
IUPAC Name 2-chloro-1-fluoro-4-isocyanatobenzene
InChI Key XVIPJBUXMFLHSI-UHFFFAOYSA-N
Molecular Formula C7H3ClFNO
3,302

3-Fluoro-2-nitrophenol, 97%

CAS: 385-01-3 Molecular Formula: C6H4FNO3 Molecular Weight (g/mol): 157.1 MDL Number: MFCD07368753 InChI Key: GAWNBKUTBVLIPL-UHFFFAOYSA-N Synonym: 3-fluoro-2-nitro-phenol,2-nitro-3-fluorophenol,phenol, 3-fluoro-2-nitro,3-fluoronitro-phenol,pubchem4124,acmc-209j0i,ksc497m1h PubChem CID: 2782777 IUPAC Name: 3-fluoro-2-nitrophenol SMILES: C1=CC(=C(C(=C1)F)[N+](=O)[O-])O

PubChem CID 2782777
CAS 385-01-3
Molecular Weight (g/mol) 157.1
MDL Number MFCD07368753
SMILES C1=CC(=C(C(=C1)F)[N+](=O)[O-])O
Synonym 3-fluoro-2-nitro-phenol,2-nitro-3-fluorophenol,phenol, 3-fluoro-2-nitro,3-fluoronitro-phenol,pubchem4124,acmc-209j0i,ksc497m1h
IUPAC Name 3-fluoro-2-nitrophenol
InChI Key GAWNBKUTBVLIPL-UHFFFAOYSA-N
Molecular Formula C6H4FNO3
3,303

1-(4-Bromophenyl)octane, 97%, Thermo Scientific™

CAS: 51554-93-9 Molecular Formula: C14H21Br Molecular Weight (g/mol): 269.226 MDL Number: MFCD00038348 InChI Key: OOZQSVXPBCINJF-UHFFFAOYSA-N Synonym: 1-4-bromophenyl octane,1-bromo-4-n-octylbenzene,p-octylbromobenzene,p-bromophenyloctane,4-n-octylbromobenzene,1-p-bromophenyl octane,4-bromooctylbenzene,4-oct-1-yl bromobenzene,benzene, 1-bromo-4-octyl,4-bromo-1-octylbenzene PubChem CID: 142854 IUPAC Name: 1-bromo-4-octylbenzene SMILES: CCCCCCCCC1=CC=C(C=C1)Br

PubChem CID 142854
CAS 51554-93-9
Molecular Weight (g/mol) 269.226
MDL Number MFCD00038348
SMILES CCCCCCCCC1=CC=C(C=C1)Br
Synonym 1-4-bromophenyl octane,1-bromo-4-n-octylbenzene,p-octylbromobenzene,p-bromophenyloctane,4-n-octylbromobenzene,1-p-bromophenyl octane,4-bromooctylbenzene,4-oct-1-yl bromobenzene,benzene, 1-bromo-4-octyl,4-bromo-1-octylbenzene
IUPAC Name 1-bromo-4-octylbenzene
InChI Key OOZQSVXPBCINJF-UHFFFAOYSA-N
Molecular Formula C14H21Br
3,304

Hydroquinonesulfonic acid potassium salt, 98+%

CAS: 21799-87-1 Molecular Formula: C6H5KO5S Molecular Weight (g/mol): 228.259 MDL Number: MFCD00007475 InChI Key: VKDSBABHIXQFKH-UHFFFAOYSA-M Synonym: potassium 2,5-dihydroxybenzenesulfonate,hydroquinonesulfonic acid potassium salt,potassium2,5-dihydroxybenzenesulfonate,unii-249e3f00ep,benzenesulfonic acid, 2,5-dihydroxy-, monopotassium salt,2,5-dihydroxybenzenesulfonic acid potassium salt,potassium hydroquinonesulfonate,hydroquinone sulfonic acid potassium salt,hydroquinone sulfonic acid, potassium salt,benzenesulfonic acid, 2,5-dihydroxy-, potassium salt 1:1 PubChem CID: 23672329 IUPAC Name: potassium;2,5-dihydroxybenzenesulfonate SMILES: C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[K+]

PubChem CID 23672329
CAS 21799-87-1
Molecular Weight (g/mol) 228.259
MDL Number MFCD00007475
SMILES C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[K+]
Synonym potassium 2,5-dihydroxybenzenesulfonate,hydroquinonesulfonic acid potassium salt,potassium2,5-dihydroxybenzenesulfonate,unii-249e3f00ep,benzenesulfonic acid, 2,5-dihydroxy-, monopotassium salt,2,5-dihydroxybenzenesulfonic acid potassium salt,potassium hydroquinonesulfonate,hydroquinone sulfonic acid potassium salt,hydroquinone sulfonic acid, potassium salt,benzenesulfonic acid, 2,5-dihydroxy-, potassium salt 1:1
IUPAC Name potassium;2,5-dihydroxybenzenesulfonate
InChI Key VKDSBABHIXQFKH-UHFFFAOYSA-M
Molecular Formula C6H5KO5S
3,305

2-Bromophenylacetic acid, 98%

CAS: 18698-97-0 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00004314 InChI Key: DWXSYDKEWORWBT-UHFFFAOYSA-N Synonym: 2-bromophenylacetic acid,2-2-bromophenyl acetic acid,o-bromophenylacetic acid,2-bromophenyl acetic acid,benzeneacetic acid, 2-bromo,2-bromophenylaceticacid,2-bromo-phenyl-acetic acid,pubchem7214,acmc-1btqg PubChem CID: 87754 IUPAC Name: 2-(2-bromophenyl)acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)Br

PubChem CID 87754
CAS 18698-97-0
Molecular Weight (g/mol) 215.05
MDL Number MFCD00004314
SMILES C1=CC=C(C(=C1)CC(=O)O)Br
Synonym 2-bromophenylacetic acid,2-2-bromophenyl acetic acid,o-bromophenylacetic acid,2-bromophenyl acetic acid,benzeneacetic acid, 2-bromo,2-bromophenylaceticacid,2-bromo-phenyl-acetic acid,pubchem7214,acmc-1btqg
IUPAC Name 2-(2-bromophenyl)acetic acid
InChI Key DWXSYDKEWORWBT-UHFFFAOYSA-N
Molecular Formula C8H7BrO2
3,306

4-Fluorobenzaldehyde, 98%

CAS: 459-57-4 Molecular Formula: C7H5FO Molecular Weight (g/mol): 124.114 MDL Number: MFCD00003378 InChI Key: UOQXIWFBQSVDPP-UHFFFAOYSA-N Synonym: p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde PubChem CID: 68023 IUPAC Name: 4-fluorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)F

PubChem CID 68023
CAS 459-57-4
Molecular Weight (g/mol) 124.114
MDL Number MFCD00003378
SMILES C1=CC(=CC=C1C=O)F
Synonym p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde
IUPAC Name 4-fluorobenzaldehyde
InChI Key UOQXIWFBQSVDPP-UHFFFAOYSA-N
Molecular Formula C7H5FO
3,307

Nalpha-Boc-Nepsilon-Fmoc-D-lysine, 95%

CAS: 115186-31-7 Molecular Formula: C26H32N2O6 Molecular Weight (g/mol): 468.55 MDL Number: MFCD00076966 InChI Key: JYEVQYFWINBXJU-ANBDAQEENA-N Synonym: boc-d-lys fmoc-oh,n-boc-n'-fmoc-d-lysine,boc-l-lys fmoc-oh,boc-n-epsilon-fmoc-d-lysine,n-alpha-t-butyloxycarbonyl-n-epsilon-9-fluorenylmethyloxycarbonyl-d-lysine,2r-2-tert-butoxycarbonyl amino-6-9h-fluoren-9-ylmethoxy carbonyl amino hexanoic acid,ambotzbaa1040,n-boc-n-fmoc-d-lysine,pubchem12013,n2-boc-n6-fmoc-d-lysine PubChem CID: 14019424 IUPAC Name: (2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid SMILES: CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O

PubChem CID 14019424
CAS 115186-31-7
Molecular Weight (g/mol) 468.55
MDL Number MFCD00076966
SMILES CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O
Synonym boc-d-lys fmoc-oh,n-boc-n'-fmoc-d-lysine,boc-l-lys fmoc-oh,boc-n-epsilon-fmoc-d-lysine,n-alpha-t-butyloxycarbonyl-n-epsilon-9-fluorenylmethyloxycarbonyl-d-lysine,2r-2-tert-butoxycarbonyl amino-6-9h-fluoren-9-ylmethoxy carbonyl amino hexanoic acid,ambotzbaa1040,n-boc-n-fmoc-d-lysine,pubchem12013,n2-boc-n6-fmoc-d-lysine
IUPAC Name (2R)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI Key JYEVQYFWINBXJU-ANBDAQEENA-N
Molecular Formula C26H32N2O6
3,308

4,4'-Bis(dimethylamino)benzophenone, 98%

CAS: 90-94-8 Molecular Formula: C17H20N2O Molecular Weight (g/mol): 268.36 MDL Number: MFCD00008312 InChI Key: VVBLNCFGVYUYGU-UHFFFAOYSA-N Synonym: michler's ketone,4,4'-bis dimethylamino benzophenone,michler ketone,bis 4-dimethylamino phenyl methanone,p,p'-michler's ketone,michlers ketone,methanone, bis 4-dimethylamino phenyl,tetramethyldiaminobenzophenone,p,p'-bis dimethylamino benzophenone PubChem CID: 7031 ChEBI: CHEBI:82347 IUPAC Name: bis[4-(dimethylamino)phenyl]methanone SMILES: CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C

PubChem CID 7031
CAS 90-94-8
Molecular Weight (g/mol) 268.36
ChEBI CHEBI:82347
MDL Number MFCD00008312
SMILES CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C
Synonym michler's ketone,4,4'-bis dimethylamino benzophenone,michler ketone,bis 4-dimethylamino phenyl methanone,p,p'-michler's ketone,michlers ketone,methanone, bis 4-dimethylamino phenyl,tetramethyldiaminobenzophenone,p,p'-bis dimethylamino benzophenone
IUPAC Name bis[4-(dimethylamino)phenyl]methanone
InChI Key VVBLNCFGVYUYGU-UHFFFAOYSA-N
Molecular Formula C17H20N2O
3,309

2-Methyl-1-phenyl-1-propanol, 98%

CAS: 611-69-8 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00065000 InChI Key: GMDYDZMQHRTHJA-UHFFFAOYSA-N Synonym: 2-methyl-1-phenyl-1-propanol,.alpha.-isopropylbenzyl alcohol,isopropyl benzyl alcohol,2-methyl-1-phenylpropanol,benzenemethanol, .alpha.-1-methylethyl,1-phenyl-2-methylpropyl alcohol,1r-2-methyl-1-phenyl-propan-1-ol,phenylisopropylcarbinol,isopropylphenylcarbinol,acmc-20anr9 PubChem CID: 95626 IUPAC Name: 2-methyl-1-phenylpropan-1-ol SMILES: CC(C)C(C1=CC=CC=C1)O

PubChem CID 95626
CAS 611-69-8
Molecular Weight (g/mol) 150.221
MDL Number MFCD00065000
SMILES CC(C)C(C1=CC=CC=C1)O
Synonym 2-methyl-1-phenyl-1-propanol,.alpha.-isopropylbenzyl alcohol,isopropyl benzyl alcohol,2-methyl-1-phenylpropanol,benzenemethanol, .alpha.-1-methylethyl,1-phenyl-2-methylpropyl alcohol,1r-2-methyl-1-phenyl-propan-1-ol,phenylisopropylcarbinol,isopropylphenylcarbinol,acmc-20anr9
IUPAC Name 2-methyl-1-phenylpropan-1-ol
InChI Key GMDYDZMQHRTHJA-UHFFFAOYSA-N
Molecular Formula C10H14O
3,310

Phenol Solution, Macron Fine Chemicals™

CAS: 108-95-2 Molecular Formula: C6H6O Molecular Weight (g/mol): 94.11 MDL Number: MFCD00002143 InChI Key: ISWSIDIOOBJBQZ-UHFFFAOYSA-N Synonym: carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol PubChem CID: 996 ChEBI: CHEBI:15882 IUPAC Name: phenol SMILES: OC1=CC=CC=C1

PubChem CID 996
CAS 108-95-2
Molecular Weight (g/mol) 94.11
ChEBI CHEBI:15882
MDL Number MFCD00002143
SMILES OC1=CC=CC=C1
Synonym carbolic acid,hydroxybenzene,phenic acid,phenylic acid,oxybenzene,benzenol,phenyl hydrate,monophenol,phenyl hydroxide,phenylic alcohol
IUPAC Name phenol
InChI Key ISWSIDIOOBJBQZ-UHFFFAOYSA-N
Molecular Formula C6H6O
3,311

2-Fluoro-4-(trifluoromethyl)benzeneboronic acid, 97%

CAS: 503309-11-3 Molecular Formula: C7H5BF4O2 Molecular Weight (g/mol): 207.919 MDL Number: MFCD03094995 InChI Key: SSFSVKVWAURAAM-UHFFFAOYSA-N Synonym: 2-fluoro-4-trifluoromethyl phenylboronic acid,2-fluoro-4-trifluoromethylphenylboronic acid,2-fluoro-4-trifluoromethyl benzeneboronic acid,2-fluoro-4-trifluoromethyl phenyl boronic acid,boronic acid, 2-fluoro-4-trifluoromethyl phenyl,pubchem1859,acmc-209klg,ksc269g4l,4-borono-3-fluorobenzotrifluoride PubChem CID: 16414145 IUPAC Name: [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O

PubChem CID 16414145
CAS 503309-11-3
Molecular Weight (g/mol) 207.919
MDL Number MFCD03094995
SMILES B(C1=C(C=C(C=C1)C(F)(F)F)F)(O)O
Synonym 2-fluoro-4-trifluoromethyl phenylboronic acid,2-fluoro-4-trifluoromethylphenylboronic acid,2-fluoro-4-trifluoromethyl benzeneboronic acid,2-fluoro-4-trifluoromethyl phenyl boronic acid,boronic acid, 2-fluoro-4-trifluoromethyl phenyl,pubchem1859,acmc-209klg,ksc269g4l,4-borono-3-fluorobenzotrifluoride
IUPAC Name [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid
InChI Key SSFSVKVWAURAAM-UHFFFAOYSA-N
Molecular Formula C7H5BF4O2
3,312

N,N-Dimethylglycine hydrochloride, 99%

CAS: 2491-06-7 MDL Number: MFCD00012610

CAS 2491-06-7
MDL Number MFCD00012610
3,313

3-Fluoro-4-(2-pyridylcarbamoyl)benzeneboronic acid, 97%

CAS: 1449133-22-5 Molecular Formula: C12H10BFN2O3 Molecular Weight (g/mol): 260.031 MDL Number: MFCD20265181 InChI Key: CIQKUPRZPUUGGK-UHFFFAOYSA-N Synonym: 3-fluoro-4-2-pyridylcarbamoyl benzeneboronic acid,3-fluoro-4-pyridin-2-yl carbamoyl phenylboronic acid,3-fluoro-4-2-pyridylcarbamoyl phenylboronic acid PubChem CID: 73995642 IUPAC Name: [3-fluoro-4-(pyridin-2-ylcarbamoyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)C(=O)NC2=CC=CC=N2)F)(O)O

PubChem CID 73995642
CAS 1449133-22-5
Molecular Weight (g/mol) 260.031
MDL Number MFCD20265181
SMILES B(C1=CC(=C(C=C1)C(=O)NC2=CC=CC=N2)F)(O)O
Synonym 3-fluoro-4-2-pyridylcarbamoyl benzeneboronic acid,3-fluoro-4-pyridin-2-yl carbamoyl phenylboronic acid,3-fluoro-4-2-pyridylcarbamoyl phenylboronic acid
IUPAC Name [3-fluoro-4-(pyridin-2-ylcarbamoyl)phenyl]boronic acid
InChI Key CIQKUPRZPUUGGK-UHFFFAOYSA-N
Molecular Formula C12H10BFN2O3
3,314

3-Methylbenzylamine, 98%

CAS: 100-81-2 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00008118 InChI Key: RGXUCUWVGKLACF-UHFFFAOYSA-N Synonym: 3-methylbenzylamine,m-tolylmethanamine,3-methylphenyl methanamine,benzenemethanamine, 3-methyl,m-methylbenzylamine,1-3-methylphenyl methanamine,3-methylbenzyl amine,alpha-amino-m-xylene,benzylamine, m-methyl,m-xylylamine PubChem CID: 66015 IUPAC Name: (3-methylphenyl)methanamine SMILES: CC1=CC(=CC=C1)CN

PubChem CID 66015
CAS 100-81-2
Molecular Weight (g/mol) 121.18
MDL Number MFCD00008118
SMILES CC1=CC(=CC=C1)CN
Synonym 3-methylbenzylamine,m-tolylmethanamine,3-methylphenyl methanamine,benzenemethanamine, 3-methyl,m-methylbenzylamine,1-3-methylphenyl methanamine,3-methylbenzyl amine,alpha-amino-m-xylene,benzylamine, m-methyl,m-xylylamine
IUPAC Name (3-methylphenyl)methanamine
InChI Key RGXUCUWVGKLACF-UHFFFAOYSA-N
Molecular Formula C8H11N
3,315

Diethyl terephthalate, 95%

CAS: 636-09-9 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00039891 InChI Key: ONIHPYYWNBVMID-UHFFFAOYSA-N Synonym: diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester PubChem CID: 12483 IUPAC Name: diethyl benzene-1,4-dicarboxylate SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)OCC

PubChem CID 12483
CAS 636-09-9
Molecular Weight (g/mol) 222.24
MDL Number MFCD00039891
SMILES CCOC(=O)C1=CC=C(C=C1)C(=O)OCC
Synonym diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester
IUPAC Name diethyl benzene-1,4-dicarboxylate
InChI Key ONIHPYYWNBVMID-UHFFFAOYSA-N
Molecular Formula C12H14O4