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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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3,076 – 3,090 of 78,615 results
3,076

trans-beta-Nitrostyrene, 97+%

CAS: 5153-67-3 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00007402 InChI Key: PIAOLBVUVDXHHL-VOTSOKGWSA-N Synonym: trans-beta-nitrostyrene,2-nitrovinyl benzene,e-2-nitrovinyl benzene,beta-nitrostyrene,2-nitro-1-phenylethylene,e-beta-nitrostyrene,2-nitroethenyl benzene,1-phenyl-2-nitroethene,beta-nitrosytrene,benzene, 2-nitroethenyl PubChem CID: 5284459 IUPAC Name: [(E)-2-nitroethenyl]benzene SMILES: [O-][N+](=O)\C=C\C1=CC=CC=C1

PubChem CID 5284459
CAS 5153-67-3
Molecular Weight (g/mol) 149.15
MDL Number MFCD00007402
SMILES [O-][N+](=O)\C=C\C1=CC=CC=C1
Synonym trans-beta-nitrostyrene,2-nitrovinyl benzene,e-2-nitrovinyl benzene,beta-nitrostyrene,2-nitro-1-phenylethylene,e-beta-nitrostyrene,2-nitroethenyl benzene,1-phenyl-2-nitroethene,beta-nitrosytrene,benzene, 2-nitroethenyl
IUPAC Name [(E)-2-nitroethenyl]benzene
InChI Key PIAOLBVUVDXHHL-VOTSOKGWSA-N
Molecular Formula C8H7NO2
3,077

Naftifine hydrochloride, 99%, Thermo Scientific Chemicals

CAS: 65473-14-5 Molecular Formula: C21H21N·ClH Molecular Weight (g/mol): 323.86 InChI Key: OLUNPKFOFGZHRT-YGCVIUNWSA-N Synonym: naftifine hydrochloride,naftifine hcl,naftin,exoderil,naftifungin,n-trans-cinnamyl-n-methyl-1-naphthylmethyl amine hydrochloride,e-n-cinnamyl-n-methyl-1-naphthalenemethylamine hydrochloride,naftin tn,e-n-methyl-n-1-naphthylmethyl-3-phenyl-2-propen-1-amine-hydrochloride PubChem CID: 5281098 ChEBI: CHEBI:7452 IUPAC Name: (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride SMILES: CN(CC=CC1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32.Cl

PubChem CID 5281098
CAS 65473-14-5
Molecular Weight (g/mol) 323.86
ChEBI CHEBI:7452
SMILES CN(CC=CC1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32.Cl
Synonym naftifine hydrochloride,naftifine hcl,naftin,exoderil,naftifungin,n-trans-cinnamyl-n-methyl-1-naphthylmethyl amine hydrochloride,e-n-cinnamyl-n-methyl-1-naphthalenemethylamine hydrochloride,naftin tn,e-n-methyl-n-1-naphthylmethyl-3-phenyl-2-propen-1-amine-hydrochloride
IUPAC Name (E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;hydrochloride
InChI Key OLUNPKFOFGZHRT-YGCVIUNWSA-N
Molecular Formula C21H21N·ClH
3,078

trans,trans-Dibenzylideneacetone, 98+%

CAS: 35225-79-7 Molecular Formula: C17H14O Molecular Weight (g/mol): 234.30 MDL Number: MFCD00004790 InChI Key: WMKGGPCROCCUDY-PHEQNACWSA-N Synonym: dibenzylideneacetone,1,5-diphenylpenta-1,4-dien-3-one,trans,trans-dibenzylideneacetone,dibenzalacetone,1e,4e-1,5-diphenylpenta-1,4-dien-3-one,dibenzylidene acetone,distyryl ketone,1,5-diphenyl-1,4-pentadien-3-one,trans,trans-dibenzalacetone,trans,trans-1,5-diphenyl-1,4-pentadien-3-one PubChem CID: 640180 IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one SMILES: O=C(\C=C\C1=CC=CC=C1)/C=C/C1=CC=CC=C1

PubChem CID 640180
CAS 35225-79-7
Molecular Weight (g/mol) 234.30
MDL Number MFCD00004790
SMILES O=C(\C=C\C1=CC=CC=C1)/C=C/C1=CC=CC=C1
Synonym dibenzylideneacetone,1,5-diphenylpenta-1,4-dien-3-one,trans,trans-dibenzylideneacetone,dibenzalacetone,1e,4e-1,5-diphenylpenta-1,4-dien-3-one,dibenzylidene acetone,distyryl ketone,1,5-diphenyl-1,4-pentadien-3-one,trans,trans-dibenzalacetone,trans,trans-1,5-diphenyl-1,4-pentadien-3-one
IUPAC Name (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
InChI Key WMKGGPCROCCUDY-PHEQNACWSA-N
Molecular Formula C17H14O
3,079

3-Methoxyphenylglyoxal hydrate, 97%, dry wt. basis, Thermo Scientific Chemicals

CAS: 32025-65-3 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD08533286 InChI Key: SIHYQEYAJMDKQH-UHFFFAOYSA-N Synonym: 3-methoxyphenylglyoxal hydrate,2-3-methoxyphenyl-2-oxoacetaldehyde hydrate,acmc-1c24s,bestipharma 555-843,3-methoxyphenylglyoxal monohydrate,ethanone,2,2-dihydroxy-1-3-methylphenyl,3-methoxyphenyl oxo acetaldehyde-water 1/1,2-3-methoxyphenyl-2-oxidanylidene-ethanal hydrate PubChem CID: 21155397 IUPAC Name: 2-(3-methoxyphenyl)-2-oxoacetaldehyde;hydrate SMILES: COC1=CC=CC(=C1)C(=O)C=O

PubChem CID 21155397
CAS 32025-65-3
Molecular Weight (g/mol) 164.16
MDL Number MFCD08533286
SMILES COC1=CC=CC(=C1)C(=O)C=O
Synonym 3-methoxyphenylglyoxal hydrate,2-3-methoxyphenyl-2-oxoacetaldehyde hydrate,acmc-1c24s,bestipharma 555-843,3-methoxyphenylglyoxal monohydrate,ethanone,2,2-dihydroxy-1-3-methylphenyl,3-methoxyphenyl oxo acetaldehyde-water 1/1,2-3-methoxyphenyl-2-oxidanylidene-ethanal hydrate
IUPAC Name 2-(3-methoxyphenyl)-2-oxoacetaldehyde;hydrate
InChI Key SIHYQEYAJMDKQH-UHFFFAOYSA-N
Molecular Formula C9H8O3
3,080

4-Fluorophenylglyoxal hydrate, 98%, dry wt. basis

CAS: 403-32-7 Molecular Formula: C8H5FO2 Molecular Weight (g/mol): 152.12 MDL Number: MFCD01733156 InChI Key: IPWSCROFORAGJW-UHFFFAOYSA-N Synonym: 2-4-fluorophenyl-2-oxoacetaldehyde,4-fluorophenylglyoxal,benzeneacetaldehyde, 4-fluoro-alpha-oxo,4-fluoro-phenyl-oxo-acetaldehyde,4-fluoro-alpha-oxobenzeneacetaldehyde,4-fluorophenyl oxo acetaldehyde,p-fluorophenylglyoxal,p-fluorophenyl glyoxal,4-fluorophenyl glyoxal,1-4-fluorophenyl glyoxal PubChem CID: 101249 IUPAC Name: 2-(4-fluorophenyl)-2-oxoacetaldehyde SMILES: FC1=CC=C(C=C1)C(=O)C=O

PubChem CID 101249
CAS 403-32-7
Molecular Weight (g/mol) 152.12
MDL Number MFCD01733156
SMILES FC1=CC=C(C=C1)C(=O)C=O
Synonym 2-4-fluorophenyl-2-oxoacetaldehyde,4-fluorophenylglyoxal,benzeneacetaldehyde, 4-fluoro-alpha-oxo,4-fluoro-phenyl-oxo-acetaldehyde,4-fluoro-alpha-oxobenzeneacetaldehyde,4-fluorophenyl oxo acetaldehyde,p-fluorophenylglyoxal,p-fluorophenyl glyoxal,4-fluorophenyl glyoxal,1-4-fluorophenyl glyoxal
IUPAC Name 2-(4-fluorophenyl)-2-oxoacetaldehyde
InChI Key IPWSCROFORAGJW-UHFFFAOYSA-N
Molecular Formula C8H5FO2
3,081

2-Phenyl-2-pentenal, (E)+(Z), 90+%

CAS: 3491-63-2 Molecular Formula: C11H12O Molecular Weight (g/mol): 160.216 MDL Number: MFCD00051835 InChI Key: YPAJRUMMODCONM-IZZDOVSWSA-N Synonym: 2-phenyl-2-pentenal,2z-2-phenylpent-2-enal PubChem CID: 15310469 IUPAC Name: (Z)-2-phenylpent-2-enal SMILES: CCC=C(C=O)C1=CC=CC=C1

PubChem CID 15310469
CAS 3491-63-2
Molecular Weight (g/mol) 160.216
MDL Number MFCD00051835
SMILES CCC=C(C=O)C1=CC=CC=C1
Synonym 2-phenyl-2-pentenal,2z-2-phenylpent-2-enal
IUPAC Name (Z)-2-phenylpent-2-enal
InChI Key YPAJRUMMODCONM-IZZDOVSWSA-N
Molecular Formula C11H12O
3,082

Phenylacetaldehyde, 99.5%, For GC analysis, MP Biomedicals™

CAS: 122-78-1 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00006993 InChI Key: DTUQWGWMVIHBKE-UHFFFAOYSA-N IUPAC Name: 2-phenylacetaldehyde SMILES: O=CCC1=CC=CC=C1

CAS 122-78-1
Molecular Weight (g/mol) 120.15
MDL Number MFCD00006993
SMILES O=CCC1=CC=CC=C1
IUPAC Name 2-phenylacetaldehyde
InChI Key DTUQWGWMVIHBKE-UHFFFAOYSA-N
Molecular Formula C8H8O
3,083

3,4-Difluorophenylglyoxal hydrate, 98%, dry wt. basis

CAS: 79784-34-2 Molecular Formula: C8H4F2O2 Molecular Weight (g/mol): 170.12 MDL Number: MFCD01733155 InChI Key: VZRYIZGMQICGSF-UHFFFAOYSA-N Synonym: 3,4-difluorophenylglyoxal hydrate,2-3,4-difluorophenyl-2-oxoacetaldehyde hydrate,pubchem12210,3,4-difluorophenylglyoxal monohydrate,3,4-difluorophenylglyoxalhydrate,benzeneacetaldehyde,3,4-difluoro-a-oxo,2-3,4-difluorophenyl-2-oxoethanal, hydrate PubChem CID: 2782289 IUPAC Name: 2-(3,4-difluorophenyl)-2-oxoacetaldehyde;hydrate SMILES: FC1=CC=C(C=C1F)C(=O)C=O

PubChem CID 2782289
CAS 79784-34-2
Molecular Weight (g/mol) 170.12
MDL Number MFCD01733155
SMILES FC1=CC=C(C=C1F)C(=O)C=O
Synonym 3,4-difluorophenylglyoxal hydrate,2-3,4-difluorophenyl-2-oxoacetaldehyde hydrate,pubchem12210,3,4-difluorophenylglyoxal monohydrate,3,4-difluorophenylglyoxalhydrate,benzeneacetaldehyde,3,4-difluoro-a-oxo,2-3,4-difluorophenyl-2-oxoethanal, hydrate
IUPAC Name 2-(3,4-difluorophenyl)-2-oxoacetaldehyde;hydrate
InChI Key VZRYIZGMQICGSF-UHFFFAOYSA-N
Molecular Formula C8H4F2O2
3,084

2-[3-(Chloromethyl)phenyl]pyrimidine, 97%, Thermo Scientific™

CAS: 898289-51-5 Molecular Formula: C11H9ClN2 Molecular Weight (g/mol): 204.657 MDL Number: MFCD09064978 InChI Key: AUWJTKGKFPDHDU-UHFFFAOYSA-N Synonym: 2-3-chloromethyl phenyl pyrimidine,3-pyrimidin-2-ylbenzyl chloride,pyrimidine, 2-3-chloromethyl phenyl,pyrimidine, 2-3-chloromethyl phenyl-9ci PubChem CID: 24229567 IUPAC Name: 2-[3-(chloromethyl)phenyl]pyrimidine SMILES: C1=CC(=CC(=C1)CCl)C2=NC=CC=N2

PubChem CID 24229567
CAS 898289-51-5
Molecular Weight (g/mol) 204.657
MDL Number MFCD09064978
SMILES C1=CC(=CC(=C1)CCl)C2=NC=CC=N2
Synonym 2-3-chloromethyl phenyl pyrimidine,3-pyrimidin-2-ylbenzyl chloride,pyrimidine, 2-3-chloromethyl phenyl,pyrimidine, 2-3-chloromethyl phenyl-9ci
IUPAC Name 2-[3-(chloromethyl)phenyl]pyrimidine
InChI Key AUWJTKGKFPDHDU-UHFFFAOYSA-N
Molecular Formula C11H9ClN2
3,085

4-Bromo-2,6-difluorobenzyl alcohol, 97%

CAS: 162744-59-4 Molecular Formula: C7H5BrF2O Molecular Weight (g/mol): 223.017 MDL Number: MFCD03094461 InChI Key: LSRHFWSNUFIKER-UHFFFAOYSA-N Synonym: 4-bromo-2,6-difluorobenzyl alcohol,4-bromo-2,6-difluorophenyl methanol,4-bromo-2,6-difluorobenzylalcohol,benzenemethanol, 4-bromo-2,6-difluoro,4-bromo-2,6-difluoro-benzenemethanol,2,6-difluoro-4-bromobenzyl alcohol,4-bromo-2,6-difluoro-phenyl methanol,2,6-difluoro-4-bromo benzyl alcohol,pubchem4882,acmc-209dox PubChem CID: 2773303 IUPAC Name: (4-bromo-2,6-difluorophenyl)methanol SMILES: C1=C(C=C(C(=C1F)CO)F)Br

PubChem CID 2773303
CAS 162744-59-4
Molecular Weight (g/mol) 223.017
MDL Number MFCD03094461
SMILES C1=C(C=C(C(=C1F)CO)F)Br
Synonym 4-bromo-2,6-difluorobenzyl alcohol,4-bromo-2,6-difluorophenyl methanol,4-bromo-2,6-difluorobenzylalcohol,benzenemethanol, 4-bromo-2,6-difluoro,4-bromo-2,6-difluoro-benzenemethanol,2,6-difluoro-4-bromobenzyl alcohol,4-bromo-2,6-difluoro-phenyl methanol,2,6-difluoro-4-bromo benzyl alcohol,pubchem4882,acmc-209dox
IUPAC Name (4-bromo-2,6-difluorophenyl)methanol
InChI Key LSRHFWSNUFIKER-UHFFFAOYSA-N
Molecular Formula C7H5BrF2O
3,086

2,5-Dichlorobenzyl alcohol, 99%

CAS: 34145-05-6 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 MDL Number: MFCD00004607 InChI Key: LCEIGNVIDJNUGF-UHFFFAOYSA-N PubChem CID: 118604 IUPAC Name: (2,5-dichlorophenyl)methanol SMILES: C1=CC(=C(C=C1Cl)CO)Cl

PubChem CID 118604
CAS 34145-05-6
Molecular Weight (g/mol) 177.024
MDL Number MFCD00004607
SMILES C1=CC(=C(C=C1Cl)CO)Cl
IUPAC Name (2,5-dichlorophenyl)methanol
InChI Key LCEIGNVIDJNUGF-UHFFFAOYSA-N
Molecular Formula C7H6Cl2O
3,087

tert-Butyl 4-(bromomethyl)benzoate, 95%

CAS: 108052-76-2 Molecular Formula: C12H15BrO2 Molecular Weight (g/mol): 271.154 MDL Number: MFCD04973450 InChI Key: GSIBTIUXYYFCPU-UHFFFAOYSA-N Synonym: tert-butyl 4-bromomethyl benzoate,4-bromomethylbenzoic acid tert-butyl ester,4-bromomethyl-benzoic acid tert-butyl ester,4-bromomethyl benzoic acid tert-butyl ester,tert-butyl p-bromomethyl benzoate,4-bromo methyl benzoic acid mono tert-butyl ester,tert-butyl-4-bromomethylbenzoate,1,1-dimethylethyl 4-bromomethyl benzoate,benzoic acid, 4-bromomethyl-, 1,1-dimethylethyl ester,4-bromomethyl-benzoic acid, 1,1-dimethylethyl ester PubChem CID: 11414578 IUPAC Name: tert-butyl 4-(bromomethyl)benzoate SMILES: CC(C)(C)OC(=O)C1=CC=C(C=C1)CBr

PubChem CID 11414578
CAS 108052-76-2
Molecular Weight (g/mol) 271.154
MDL Number MFCD04973450
SMILES CC(C)(C)OC(=O)C1=CC=C(C=C1)CBr
Synonym tert-butyl 4-bromomethyl benzoate,4-bromomethylbenzoic acid tert-butyl ester,4-bromomethyl-benzoic acid tert-butyl ester,4-bromomethyl benzoic acid tert-butyl ester,tert-butyl p-bromomethyl benzoate,4-bromo methyl benzoic acid mono tert-butyl ester,tert-butyl-4-bromomethylbenzoate,1,1-dimethylethyl 4-bromomethyl benzoate,benzoic acid, 4-bromomethyl-, 1,1-dimethylethyl ester,4-bromomethyl-benzoic acid, 1,1-dimethylethyl ester
IUPAC Name tert-butyl 4-(bromomethyl)benzoate
InChI Key GSIBTIUXYYFCPU-UHFFFAOYSA-N
Molecular Formula C12H15BrO2
3,088

4-Nitrobenzyl bromide, 99%

CAS: 100-11-8 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.03 MDL Number: MFCD00007373 InChI Key: VOLRSQPSJGXRNJ-UHFFFAOYSA-N Synonym: 4-nitrobenzyl bromide,1-bromomethyl-4-nitrobenzene,p-nitrobenzyl bromide,nitrobenzyl bromide,alpha-bromo-4-nitrotoluene,benzene, 1-bromomethyl-4-nitro,p-bromomethyl nitrobenzene,4-bromomethyl nitrobenzene,alpha-bromo-p-nitrotoluene,4-nitrobenzylbromide PubChem CID: 66011 ChEBI: CHEBI:62822 IUPAC Name: 1-(bromomethyl)-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(CBr)C=C1

PubChem CID 66011
CAS 100-11-8
Molecular Weight (g/mol) 216.03
ChEBI CHEBI:62822
MDL Number MFCD00007373
SMILES [O-][N+](=O)C1=CC=C(CBr)C=C1
Synonym 4-nitrobenzyl bromide,1-bromomethyl-4-nitrobenzene,p-nitrobenzyl bromide,nitrobenzyl bromide,alpha-bromo-4-nitrotoluene,benzene, 1-bromomethyl-4-nitro,p-bromomethyl nitrobenzene,4-bromomethyl nitrobenzene,alpha-bromo-p-nitrotoluene,4-nitrobenzylbromide
IUPAC Name 1-(bromomethyl)-4-nitrobenzene
InChI Key VOLRSQPSJGXRNJ-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
3,089

3-(Trifluoromethoxy)benzyl bromide, 98%

CAS: 159689-88-0 Molecular Formula: C8H6BrF3O Molecular Weight (g/mol): 255.03 MDL Number: MFCD00061271 InChI Key: QSIVWRRHVXSDNE-UHFFFAOYSA-N Synonym: 3-trifluoromethoxy benzyl bromide,1-bromomethyl-3-trifluoromethoxy benzene,3-trifluoromethoxybenzyl bromide,alpha-bromo-3-trifluoromethoxy toluene,3-trifluoromethoxy benzylbromide,m-trifluoromethoxy benzyl bromide,3-bromomethyl phenoxy trifluoromethane,1-bromomethyl-3-trifluoromethoxy-benzene,benzene, 1-bromomethyl-3-trifluoromethoxy PubChem CID: 737176 IUPAC Name: 1-(bromomethyl)-3-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=CC(CBr)=C1

PubChem CID 737176
CAS 159689-88-0
Molecular Weight (g/mol) 255.03
MDL Number MFCD00061271
SMILES FC(F)(F)OC1=CC=CC(CBr)=C1
Synonym 3-trifluoromethoxy benzyl bromide,1-bromomethyl-3-trifluoromethoxy benzene,3-trifluoromethoxybenzyl bromide,alpha-bromo-3-trifluoromethoxy toluene,3-trifluoromethoxy benzylbromide,m-trifluoromethoxy benzyl bromide,3-bromomethyl phenoxy trifluoromethane,1-bromomethyl-3-trifluoromethoxy-benzene,benzene, 1-bromomethyl-3-trifluoromethoxy
IUPAC Name 1-(bromomethyl)-3-(trifluoromethoxy)benzene
InChI Key QSIVWRRHVXSDNE-UHFFFAOYSA-N
Molecular Formula C8H6BrF3O
3,090

(+/-)-Miconazole nitrate, 98+%

CAS: 22832-87-7 Molecular Formula: C18H15Cl4N3O4 Molecular Weight (g/mol): 479.14 MDL Number: MFCD00058161 InChI Key: MCCACAIVAXEFAL-UHFFFAOYNA-N Synonym: miconazole nitrate,albistat,andergin,aflorix,conofite,florid,micatin,gyno-monistat,epi-monistat,gyno-daktar PubChem CID: 68553 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole; nitric acid SMILES: O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1

PubChem CID 68553
CAS 22832-87-7
Molecular Weight (g/mol) 479.14
MDL Number MFCD00058161
SMILES O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
Synonym miconazole nitrate,albistat,andergin,aflorix,conofite,florid,micatin,gyno-monistat,epi-monistat,gyno-daktar
IUPAC Name 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole; nitric acid
InChI Key MCCACAIVAXEFAL-UHFFFAOYNA-N
Molecular Formula C18H15Cl4N3O4