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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 (128,921)
Phenols (24,866)
Naphthalenes (6,307)
Phenol esters (4,749)
Unsubstituted Phenols (1,440)
Fluorenes (1,279)
Thiophenols (748)
Anthracenes (512)
Indanes (479)
Phenanthrenes and derivatives (359)
Tetralins (341)
Triphenyl compounds (279)
Pyrenes (269)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (22)
Pentacenequinones (17)
Acenaphthylenes (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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1,846 – 1,860 of 157,484 results
1,846
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4-Fluoro-3-methylphenylboronic acid, 98%

CAS: 139911-27-6 Molecular Formula: C7H8BFO2 Molecular Weight (g/mol): 153.95 MDL Number: MFCD01863527 InChI Key: JCIJCHSRVPSOML-UHFFFAOYSA-N Synonym: 3-methyl-4-fluorophenylboronic acid,4-fluoro-3-methylphenyl boronic acid,4-fluoro-3-methylbenzeneboronic acid,4-fluoro-m-tolylboronic acid,4-fluoro-3-methylphenylboronicacid,5-borono-2-fluorotoluene,boronic acid, 4-fluoro-3-methylphenyl,pubchem5146,acmc-209cjo PubChem CID: 2774580 IUPAC Name: (4-fluoro-3-methylphenyl)boronic acid SMILES: CC1=CC(=CC=C1F)B(O)O

PubChem CID 2774580
CAS 139911-27-6
Molecular Weight (g/mol) 153.95
MDL Number MFCD01863527
SMILES CC1=CC(=CC=C1F)B(O)O
Synonym 3-methyl-4-fluorophenylboronic acid,4-fluoro-3-methylphenyl boronic acid,4-fluoro-3-methylbenzeneboronic acid,4-fluoro-m-tolylboronic acid,4-fluoro-3-methylphenylboronicacid,5-borono-2-fluorotoluene,boronic acid, 4-fluoro-3-methylphenyl,pubchem5146,acmc-209cjo
IUPAC Name (4-fluoro-3-methylphenyl)boronic acid
InChI Key JCIJCHSRVPSOML-UHFFFAOYSA-N
Molecular Formula C7H8BFO2
1,847

4-Methyl-3-nitrobenzoic acid, 99%

CAS: 96-98-0 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007174 InChI Key: BBEWSMNRCUXQRF-UHFFFAOYSA-N PubChem CID: 7319 SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 7319
CAS 96-98-0
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007174
SMILES CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
InChI Key BBEWSMNRCUXQRF-UHFFFAOYSA-N
Molecular Formula C8H7NO4
1,848
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2-Naphthoic acid, 99%

CAS: 93-09-4 Molecular Formula: C11H8O2 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00004101 InChI Key: UOBYKYZJUGYBDK-UHFFFAOYSA-N Synonym: 2-naphthoic acid,2-naphthalenecarboxylic acid,isonaphthoic acid,2-carboxynaphthalene,2-maythic acid,beta-naphthoic acid,ne-2-carboxylic acid,unii-qlg01v0w2l,naphthalene-beta-carboxylic acid,.beta.-naphthoic acid PubChem CID: 7123 ChEBI: CHEBI:36106 IUPAC Name: naphthalene-2-carboxylic acid SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)O

PubChem CID 7123
CAS 93-09-4
Molecular Weight (g/mol) 172.18
ChEBI CHEBI:36106
MDL Number MFCD00004101
SMILES C1=CC=C2C=C(C=CC2=C1)C(=O)O
Synonym 2-naphthoic acid,2-naphthalenecarboxylic acid,isonaphthoic acid,2-carboxynaphthalene,2-maythic acid,beta-naphthoic acid,ne-2-carboxylic acid,unii-qlg01v0w2l,naphthalene-beta-carboxylic acid,.beta.-naphthoic acid
IUPAC Name naphthalene-2-carboxylic acid
InChI Key UOBYKYZJUGYBDK-UHFFFAOYSA-N
Molecular Formula C11H8O2
1,849
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N-Methyl-p-anisidine, 98%

CAS: 5961-59-1 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00008399 InChI Key: JFXDIXYFXDOZIT-UHFFFAOYSA-N Synonym: n-methyl-p-anisidine,n-methyl-4-anisidine,n-methyl-4-methoxyaniline,benzenamine, 4-methoxy-n-methyl,n-methyl-p-ansidine,p-anisidine, n-methyl,4-methoxy-n-methylbenzenamine,1-methylamino-4-methoxybenzene,p-methoxy-n-methylaniline,acmc-209mes PubChem CID: 22250 IUPAC Name: 4-methoxy-N-methylaniline SMILES: CNC1=CC=C(C=C1)OC

PubChem CID 22250
CAS 5961-59-1
Molecular Weight (g/mol) 137.18
MDL Number MFCD00008399
SMILES CNC1=CC=C(C=C1)OC
Synonym n-methyl-p-anisidine,n-methyl-4-anisidine,n-methyl-4-methoxyaniline,benzenamine, 4-methoxy-n-methyl,n-methyl-p-ansidine,p-anisidine, n-methyl,4-methoxy-n-methylbenzenamine,1-methylamino-4-methoxybenzene,p-methoxy-n-methylaniline,acmc-209mes
IUPAC Name 4-methoxy-N-methylaniline
InChI Key JFXDIXYFXDOZIT-UHFFFAOYSA-N
Molecular Formula C8H11NO
1,850
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2-Hydroxybenzyl alcohol, 97%

CAS: 90-01-7 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00004617 InChI Key: CQRYARSYNCAZFO-UHFFFAOYSA-N Synonym: salicyl alcohol,2-hydroxybenzyl alcohol,saligenin,2-hydroxymethyl phenol,2-methylolphenol,o-hydroxybenzyl alcohol,saligenol,benzenemethanol, 2-hydroxy,diathesin,o-methylolphenol PubChem CID: 5146 ChEBI: CHEBI:16464 IUPAC Name: 2-(hydroxymethyl)phenol SMILES: OCC1=CC=CC=C1O

PubChem CID 5146
CAS 90-01-7
Molecular Weight (g/mol) 124.14
ChEBI CHEBI:16464
MDL Number MFCD00004617
SMILES OCC1=CC=CC=C1O
Synonym salicyl alcohol,2-hydroxybenzyl alcohol,saligenin,2-hydroxymethyl phenol,2-methylolphenol,o-hydroxybenzyl alcohol,saligenol,benzenemethanol, 2-hydroxy,diathesin,o-methylolphenol
IUPAC Name 2-(hydroxymethyl)phenol
InChI Key CQRYARSYNCAZFO-UHFFFAOYSA-N
Molecular Formula C7H8O2
1,851
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4-Acetoxy-3-methoxybenzaldehyde, 98%

CAS: 881-68-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00003362 InChI Key: PZSJOBKRSVRODF-UHFFFAOYSA-N Synonym: vanillin acetate,4-acetoxy-3-methoxybenzaldehyde,acetovanillin,acetylvanillin,vanillin, acetate,4-o-acetylvanillin,o-acetylvanillin,benzaldehyde, 4-acetyloxy-3-methoxy,3-methoxy-4-acetoxybenzaldehyde,acetyl vanillin PubChem CID: 61229 ChEBI: CHEBI:86956 IUPAC Name: (4-formyl-2-methoxyphenyl) acetate SMILES: CC(=O)OC1=C(C=C(C=C1)C=O)OC

PubChem CID 61229
CAS 881-68-5
Molecular Weight (g/mol) 194.186
ChEBI CHEBI:86956
MDL Number MFCD00003362
SMILES CC(=O)OC1=C(C=C(C=C1)C=O)OC
Synonym vanillin acetate,4-acetoxy-3-methoxybenzaldehyde,acetovanillin,acetylvanillin,vanillin, acetate,4-o-acetylvanillin,o-acetylvanillin,benzaldehyde, 4-acetyloxy-3-methoxy,3-methoxy-4-acetoxybenzaldehyde,acetyl vanillin
IUPAC Name (4-formyl-2-methoxyphenyl) acetate
InChI Key PZSJOBKRSVRODF-UHFFFAOYSA-N
Molecular Formula C10H10O4
1,852
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3,4,5-Trimethoxyphenylacetic acid, 99%

CAS: 951-82-6 Molecular Formula: C11H14O5 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00004336 InChI Key: DDSJXCGGOXKGSJ-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy PubChem CID: 70372 IUPAC Name: 2-(3,4,5-trimethoxyphenyl)acetic acid SMILES: COC1=CC(=CC(=C1OC)OC)CC(=O)O

PubChem CID 70372
CAS 951-82-6
Molecular Weight (g/mol) 226.23
MDL Number MFCD00004336
SMILES COC1=CC(=CC(=C1OC)OC)CC(=O)O
Synonym 3,4,5-trimethoxyphenylacetic acid,2-3,4,5-trimethoxyphenyl acetic acid,3,4,5-trimethoxyphenyl acetic acid,benzeneacetic acid, 3,4,5-trimethoxy,3,4,5-trimethoxyphenylaceticacid,pubchem14015,acmc-209rv8,ksc487g4j,3,4,5-trimethoxybenzeneacetic acid,benzeneacetic acid,4,5-trimethoxy
IUPAC Name 2-(3,4,5-trimethoxyphenyl)acetic acid
InChI Key DDSJXCGGOXKGSJ-UHFFFAOYSA-N
Molecular Formula C11H14O5
1,853
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3-Fluoroanisole, 98%, Thermo Scientific™

CAS: 456-49-5 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00000335 InChI Key: MFJNOXOAIFNSBX-UHFFFAOYSA-N Synonym: 3-fluoroanisole,m-fluoroanisole,benzene, 1-fluoro-3-methoxy,1-fluoro-3-methoxy-benzene,2-fluoro-4-methoxybenzene,fr co1 wln,3-fluoroanisol,3-fluoro-anisole,3-fluoro anisole,anisole, m-fluoro PubChem CID: 9975 IUPAC Name: 1-fluoro-3-methoxybenzene SMILES: COC1=CC=CC(F)=C1

PubChem CID 9975
CAS 456-49-5
Molecular Weight (g/mol) 126.13
MDL Number MFCD00000335
SMILES COC1=CC=CC(F)=C1
Synonym 3-fluoroanisole,m-fluoroanisole,benzene, 1-fluoro-3-methoxy,1-fluoro-3-methoxy-benzene,2-fluoro-4-methoxybenzene,fr co1 wln,3-fluoroanisol,3-fluoro-anisole,3-fluoro anisole,anisole, m-fluoro
IUPAC Name 1-fluoro-3-methoxybenzene
InChI Key MFJNOXOAIFNSBX-UHFFFAOYSA-N
Molecular Formula C7H7FO
1,854
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2,4-Dimethylbenzaldehyde, 99%

CAS: 15764-16-6 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00003340 InChI Key: GISVICWQYMUPJF-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4-dimethyl,2,4-dimethyl benzaldehyde,2,4-xylylaldehyde,2,4-dimethylbenzenecarboxaldehyde,unii-i06yu18h4a,1-formyl-2,4-dimethylbenzene,2,4-dimethyl-benzaldehyde,m-xylylaldehyde,fema no. 3427,2,4-trimethyl benzaldehyde PubChem CID: 61814 IUPAC Name: 2,4-dimethylbenzaldehyde SMILES: CC1=CC(=C(C=C1)C=O)C

PubChem CID 61814
CAS 15764-16-6
Molecular Weight (g/mol) 134.18
MDL Number MFCD00003340
SMILES CC1=CC(=C(C=C1)C=O)C
Synonym benzaldehyde, 2,4-dimethyl,2,4-dimethyl benzaldehyde,2,4-xylylaldehyde,2,4-dimethylbenzenecarboxaldehyde,unii-i06yu18h4a,1-formyl-2,4-dimethylbenzene,2,4-dimethyl-benzaldehyde,m-xylylaldehyde,fema no. 3427,2,4-trimethyl benzaldehyde
IUPAC Name 2,4-dimethylbenzaldehyde
InChI Key GISVICWQYMUPJF-UHFFFAOYSA-N
Molecular Formula C9H10O
1,855
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Methyl 4-methoxysalicylate, 98%, Thermo Scientific™

CAS: 5446-02-6 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00008424 InChI Key: ZICRWXFGZCVTBZ-UHFFFAOYSA-N Synonym: Methyle2-hydroxy-4-methoxybenzoate IUPAC Name: methyl 2-hydroxy-4-methoxybenzoate SMILES: COC(=O)C1=CC=C(OC)C=C1O

CAS 5446-02-6
Molecular Weight (g/mol) 182.18
MDL Number MFCD00008424
SMILES COC(=O)C1=CC=C(OC)C=C1O
Synonym Methyle2-hydroxy-4-methoxybenzoate
IUPAC Name methyl 2-hydroxy-4-methoxybenzoate
InChI Key ZICRWXFGZCVTBZ-UHFFFAOYSA-N
Molecular Formula C9H10O4
1,856
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4-Hydroxy-3-methoxybenzyl alcohol, 99%

CAS: 498-00-0 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00004659 InChI Key: ZENOXNGFMSCLLL-UHFFFAOYSA-N Synonym: vanillyl alcohol,4-hydroxy-3-methoxybenzyl alcohol,4-hydroxymethyl-2-methoxyphenol,vanillin alcohol,vanillic alcohol,4-hydroxy-3-methoxybenzenemethanol,benzenemethanol, 4-hydroxy-3-methoxy,vanillol,4-hydroxy-3-methoxybenzylalcohol,4-hydroxy-3-methoxyphenylmethanol PubChem CID: 62348 ChEBI: CHEBI:18353 IUPAC Name: 4-(hydroxymethyl)-2-methoxyphenol SMILES: COC1=CC(CO)=CC=C1O

PubChem CID 62348
CAS 498-00-0
Molecular Weight (g/mol) 154.17
ChEBI CHEBI:18353
MDL Number MFCD00004659
SMILES COC1=CC(CO)=CC=C1O
Synonym vanillyl alcohol,4-hydroxy-3-methoxybenzyl alcohol,4-hydroxymethyl-2-methoxyphenol,vanillin alcohol,vanillic alcohol,4-hydroxy-3-methoxybenzenemethanol,benzenemethanol, 4-hydroxy-3-methoxy,vanillol,4-hydroxy-3-methoxybenzylalcohol,4-hydroxy-3-methoxyphenylmethanol
IUPAC Name 4-(hydroxymethyl)-2-methoxyphenol
InChI Key ZENOXNGFMSCLLL-UHFFFAOYSA-N
Molecular Formula C8H10O3
1,857

4-Methoxybenzophenone, 97%

CAS: 611-94-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00008403 InChI Key: SWFHGTMLYIBPPA-UHFFFAOYSA-N Synonym: 4-methoxybenzophenone,4-methoxyphenyl phenyl methanone,p-methoxybenzophenone,benzophenone, 4-methoxy,methanone, 4-methoxyphenyl phenyl,phenyl p-anisyl ketone,4-benzoylanisole,4-methoxyphenyl phenylmethanone,unii-i4xj07373m,4-methoxyphenyl-phenylmethanone PubChem CID: 69146 IUPAC Name: (4-methoxyphenyl)-phenylmethanone SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

PubChem CID 69146
CAS 611-94-9
Molecular Weight (g/mol) 212.25
MDL Number MFCD00008403
SMILES COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym 4-methoxybenzophenone,4-methoxyphenyl phenyl methanone,p-methoxybenzophenone,benzophenone, 4-methoxy,methanone, 4-methoxyphenyl phenyl,phenyl p-anisyl ketone,4-benzoylanisole,4-methoxyphenyl phenylmethanone,unii-i4xj07373m,4-methoxyphenyl-phenylmethanone
IUPAC Name (4-methoxyphenyl)-phenylmethanone
InChI Key SWFHGTMLYIBPPA-UHFFFAOYSA-N
Molecular Formula C14H12O2
1,858
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4-Acetamidobenzenesulfonyl azide, 97%

CAS: 2158-14-7 Molecular Formula: C8H8N4O3S Molecular Weight (g/mol): 240.24 MDL Number: MFCD00029626 InChI Key: NTMHWRHEGDRTPD-UHFFFAOYSA-N Synonym: 4-acetamidobenzenesulfonyl azide,p-absa,n-4-azidosulfonylphenyl acetamide,4-acetamidobenzenesulfonylazide,4-acetamidobenzenesulphonyl azide,4-acetamidobenzene sulfonyl azide,4-acetamidobenzene-1-sulfonyl azide,acmc-1chyo,ksc491c8r,p-acetamidobenzensulfonyl azide PubChem CID: 5129185 IUPAC Name: N-(4-azidosulfonylphenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]

PubChem CID 5129185
CAS 2158-14-7
Molecular Weight (g/mol) 240.24
MDL Number MFCD00029626
SMILES CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]
Synonym 4-acetamidobenzenesulfonyl azide,p-absa,n-4-azidosulfonylphenyl acetamide,4-acetamidobenzenesulfonylazide,4-acetamidobenzenesulphonyl azide,4-acetamidobenzene sulfonyl azide,4-acetamidobenzene-1-sulfonyl azide,acmc-1chyo,ksc491c8r,p-acetamidobenzensulfonyl azide
IUPAC Name N-(4-azidosulfonylphenyl)acetamide
InChI Key NTMHWRHEGDRTPD-UHFFFAOYSA-N
Molecular Formula C8H8N4O3S
1,859
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2-Methoxybenzyl alcohol, 99%

CAS: 612-16-8 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004611 InChI Key: WYLYBQSHRJMURN-UHFFFAOYSA-N Synonym: 2-methoxybenzyl alcohol,2-methoxyphenyl methanol,o-methoxybenzyl alcohol,benzenemethanol, 2-methoxy,o-anisyl alcohol,2-methoxybenzylalcohol,2-methoxybenzenemethanol,unii-457nq8ngcg,457nq8ngcg,2-methoxyphenyl methan-1-ol PubChem CID: 69154 IUPAC Name: (2-methoxyphenyl)methanol SMILES: COC1=CC=CC=C1CO

PubChem CID 69154
CAS 612-16-8
Molecular Weight (g/mol) 138.17
MDL Number MFCD00004611
SMILES COC1=CC=CC=C1CO
Synonym 2-methoxybenzyl alcohol,2-methoxyphenyl methanol,o-methoxybenzyl alcohol,benzenemethanol, 2-methoxy,o-anisyl alcohol,2-methoxybenzylalcohol,2-methoxybenzenemethanol,unii-457nq8ngcg,457nq8ngcg,2-methoxyphenyl methan-1-ol
IUPAC Name (2-methoxyphenyl)methanol
InChI Key WYLYBQSHRJMURN-UHFFFAOYSA-N
Molecular Formula C8H10O2
1,860
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Triphenylene, 98%

CAS: 217-59-4 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00001108 InChI Key: SLGBZMMZGDRARJ-UHFFFAOYSA-N Synonym: 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl PubChem CID: 9170 ChEBI: CHEBI:33080 IUPAC Name: triphenylene SMILES: C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21

PubChem CID 9170
CAS 217-59-4
Molecular Weight (g/mol) 228.29
ChEBI CHEBI:33080
MDL Number MFCD00001108
SMILES C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21
Synonym 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl
IUPAC Name triphenylene
InChI Key SLGBZMMZGDRARJ-UHFFFAOYSA-N
Molecular Formula C18H12