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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 (64,932)
Phenols (11,908)
Naphthalenes (4,958)
Fluorenes (1,242)
Unsubstituted Phenols (1,173)
Thiophenols (610)
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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8,431 – 8,445 of 73,819 results
8,431

Benzyltriethylammonium Hydroxide (10% in Water), TCI America™
SDP

CAS: 1836-42-6 Molecular Formula: C13H23NO Molecular Weight (g/mol): 209.333 MDL Number: MFCD00040488 InChI Key: FKPSBYZGRQJIMO-UHFFFAOYSA-M PubChem CID: 74601 IUPAC Name: benzyl(triethyl)azanium;hydroxide SMILES: CC[N+](CC)(CC)CC1=CC=CC=C1.[OH-]

PubChem CID 74601
CAS 1836-42-6
Molecular Weight (g/mol) 209.333
MDL Number MFCD00040488
SMILES CC[N+](CC)(CC)CC1=CC=CC=C1.[OH-]
IUPAC Name benzyl(triethyl)azanium;hydroxide
InChI Key FKPSBYZGRQJIMO-UHFFFAOYSA-M
Molecular Formula C13H23NO
8,432

Phenethyl Caffeate 98.0+%, TCI America™
SDP

CAS: 104594-70-9 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.31 MDL Number: MFCD00866470 InChI Key: SWUARLUWKZWEBQ-VQHVLOKHSA-N Synonym: caffeic acid phenethyl ester,phenethyl caffeate,cape,capeee,phenethyl 3-3,4-dihydroxyphenyl acrylate,phenylethyl caffeate,unii-g960r9s5sk,caffeic acid phenylethyl ester,2-phenylethyl caffeate,caffeic acid 2-phenylethyl ester PubChem CID: 5281787 ChEBI: CHEBI:8062 IUPAC Name: 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: OC1=CC=C(\C=C\C(=O)OCCC2=CC=CC=C2)C=C1O

PubChem CID 5281787
CAS 104594-70-9
Molecular Weight (g/mol) 284.31
ChEBI CHEBI:8062
MDL Number MFCD00866470
SMILES OC1=CC=C(\C=C\C(=O)OCCC2=CC=CC=C2)C=C1O
Synonym caffeic acid phenethyl ester,phenethyl caffeate,cape,capeee,phenethyl 3-3,4-dihydroxyphenyl acrylate,phenylethyl caffeate,unii-g960r9s5sk,caffeic acid phenylethyl ester,2-phenylethyl caffeate,caffeic acid 2-phenylethyl ester
IUPAC Name 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key SWUARLUWKZWEBQ-VQHVLOKHSA-N
Molecular Formula C17H16O4
8,433

Ethyl Vanillate 98.0+%, TCI America™
SDP

CAS: 617-05-0 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00017269 InChI Key: MWAYRGBWOVHDDZ-UHFFFAOYSA-N Synonym: ethyl vanillate,vanillic acid, ethyl ester,4-hydroxy-3-methoxybenzoic acid ethyl ester,benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester,unii-v38jk4z93o,3-methoxy-4-hydroxybenzoic acid, ethyl ester,m-anisic acid, 4-hydroxy-, ethyl ester,vanilicacidethylester,ethyl 4-hydroxy-3-methoxy-benzoate,ethylvanillate PubChem CID: 12038 IUPAC Name: ethyl 4-hydroxy-3-methoxybenzoate SMILES: CCOC(=O)C1=CC=C(O)C(OC)=C1

PubChem CID 12038
CAS 617-05-0
Molecular Weight (g/mol) 196.20
MDL Number MFCD00017269
SMILES CCOC(=O)C1=CC=C(O)C(OC)=C1
Synonym ethyl vanillate,vanillic acid, ethyl ester,4-hydroxy-3-methoxybenzoic acid ethyl ester,benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester,unii-v38jk4z93o,3-methoxy-4-hydroxybenzoic acid, ethyl ester,m-anisic acid, 4-hydroxy-, ethyl ester,vanilicacidethylester,ethyl 4-hydroxy-3-methoxy-benzoate,ethylvanillate
IUPAC Name ethyl 4-hydroxy-3-methoxybenzoate
InChI Key MWAYRGBWOVHDDZ-UHFFFAOYSA-N
Molecular Formula C10H12O4
8,434

2-Formylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
SDP

PubChem CID 292189
CAS 40138-16-7
Molecular Weight (g/mol) 149.94
MDL Number MFCD00151822
Physical Form Crystalline Powder
TSCA No
IUPAC Name (2-formylphenyl)boronic acid
InChI Key DGUWACLYDSWXRZ-UHFFFAOYSA-N
Molecular Formula C7H7BO3
Formula Weight 149.94
Melting Point 125°C
8,435

1-Bromo-3-(trifluoromethoxy)benzene 98.0+%, TCI America™
SDP

CAS: 2252-44-0 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD00040943 InChI Key: WVUDHWBCPSXAFN-UHFFFAOYSA-N Synonym: 1-bromo-3-trifluoromethoxy benzene,3-trifluoromethoxy bromobenzene,3-bromo trifluoromethoxy benzene,m-bromo trifluoromethoxy benzene,3-bromo-1-trifluoromethoxy benzene,benzene, 1-bromo-3-trifluoromethoxy,3-bromo-alpha,alpha,alpha-trifluoroanisole,bromo-3-trifluoromethoxy benzene,buttpark 91\57-27,1-bromo-3-trifluoromethoxy-benzene PubChem CID: 519964 IUPAC Name: 1-bromo-3-(trifluoromethoxy)benzene SMILES: C1=CC(=CC(=C1)Br)OC(F)(F)F

PubChem CID 519964
CAS 2252-44-0
Molecular Weight (g/mol) 241.007
MDL Number MFCD00040943
SMILES C1=CC(=CC(=C1)Br)OC(F)(F)F
Synonym 1-bromo-3-trifluoromethoxy benzene,3-trifluoromethoxy bromobenzene,3-bromo trifluoromethoxy benzene,m-bromo trifluoromethoxy benzene,3-bromo-1-trifluoromethoxy benzene,benzene, 1-bromo-3-trifluoromethoxy,3-bromo-alpha,alpha,alpha-trifluoroanisole,bromo-3-trifluoromethoxy benzene,buttpark 91\57-27,1-bromo-3-trifluoromethoxy-benzene
IUPAC Name 1-bromo-3-(trifluoromethoxy)benzene
InChI Key WVUDHWBCPSXAFN-UHFFFAOYSA-N
Molecular Formula C7H4BrF3O
8,436

4-Chlorobenzyl Alcohol 99.0+%, TCI America™
SDP

CAS: 873-76-7 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00004652 InChI Key: PTHGDVCPCZKZKR-UHFFFAOYSA-N Synonym: 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120 PubChem CID: 13397 IUPAC Name: (4-chlorophenyl)methanol SMILES: C1=CC(=CC=C1CO)Cl

PubChem CID 13397
CAS 873-76-7
Molecular Weight (g/mol) 142.582
MDL Number MFCD00004652
SMILES C1=CC(=CC=C1CO)Cl
Synonym 4-chlorobenzyl alcohol,4-chlorophenyl methanol,p-chlorobenzyl alcohol,benzenemethanol, 4-chloro,4-chlorobenzenemethanol,4-chlorobenzylalcohol,benzyl alcohol, p-chloro,4-chlorobenzylic alcohol,unii-gf8bs53b6v,ccris 5120
IUPAC Name (4-chlorophenyl)methanol
InChI Key PTHGDVCPCZKZKR-UHFFFAOYSA-N
Molecular Formula C7H7ClO
8,437

2,6-Bis(chloromethyl)-1,4-dimethoxybenzene, TCI America™
SDP

CAS: 1379163-23-1 Molecular Formula: C10H12Cl2O2 Molecular Weight (g/mol): 235.104 InChI Key: YMYUSUWLRACOTR-UHFFFAOYSA-N PubChem CID: 44629789 IUPAC Name: 1,3-bis(chloromethyl)-2,5-dimethoxybenzene SMILES: COC1=CC(=C(C(=C1)CCl)OC)CCl

PubChem CID 44629789
CAS 1379163-23-1
Molecular Weight (g/mol) 235.104
SMILES COC1=CC(=C(C(=C1)CCl)OC)CCl
IUPAC Name 1,3-bis(chloromethyl)-2,5-dimethoxybenzene
InChI Key YMYUSUWLRACOTR-UHFFFAOYSA-N
Molecular Formula C10H12Cl2O2
8,438

Raclopride 98.0+%, TCI America™
SDP

CAS: 84225-95-6 Molecular Formula: C15H20Cl2N2O3 Molecular Weight (g/mol): 347.236 MDL Number: MFCD02179386 InChI Key: WAOQONBSWFLFPE-VIFPVBQESA-N Synonym: raclopride,s-3,5-dichloro-n-1-ethylpyrrolidin-2-yl methyl-2-hydroxy-6-methoxybenzamide,3h raclopride,3h-raclopride,unii-430k3soz7g,chembl8809,raclopridum latin,racloprida spanish,raclopride inn:ban,dsstox_cid_25687 PubChem CID: 3033769 IUPAC Name: 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide SMILES: CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2OC)Cl)Cl)O

PubChem CID 3033769
CAS 84225-95-6
Molecular Weight (g/mol) 347.236
MDL Number MFCD02179386
SMILES CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2OC)Cl)Cl)O
Synonym raclopride,s-3,5-dichloro-n-1-ethylpyrrolidin-2-yl methyl-2-hydroxy-6-methoxybenzamide,3h raclopride,3h-raclopride,unii-430k3soz7g,chembl8809,raclopridum latin,racloprida spanish,raclopride inn:ban,dsstox_cid_25687
IUPAC Name 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
InChI Key WAOQONBSWFLFPE-VIFPVBQESA-N
Molecular Formula C15H20Cl2N2O3
8,439

4-(tert-Butoxycarbonylamino)benzoic Acid 98.0+%, TCI America™
SDP

CAS: 66493-39-8 Molecular Formula: C12H15NO4 Molecular Weight (g/mol): 237.255 MDL Number: MFCD00037428 InChI Key: ZJDBQMWMDZEONW-UHFFFAOYSA-N Synonym: boc-4-abz-oh,4-boc-amino benzoic acid,4-tert-butoxycarbonyl amino benzoic acid,4-tert-butoxycarbonylamino-benzoic acid,n-boc-4-aminobenzoic acid,4-tert-butoxycarbonylaminobenzoic acid,4-tert-butoxycarbonylamino benzoic acid,boc-p-aminobenzoic acid,4-boc-amino-benzoic acid PubChem CID: 2755931 IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)O

PubChem CID 2755931
CAS 66493-39-8
Molecular Weight (g/mol) 237.255
MDL Number MFCD00037428
SMILES CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)O
Synonym boc-4-abz-oh,4-boc-amino benzoic acid,4-tert-butoxycarbonyl amino benzoic acid,4-tert-butoxycarbonylamino-benzoic acid,n-boc-4-aminobenzoic acid,4-tert-butoxycarbonylaminobenzoic acid,4-tert-butoxycarbonylamino benzoic acid,boc-p-aminobenzoic acid,4-boc-amino-benzoic acid
IUPAC Name 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI Key ZJDBQMWMDZEONW-UHFFFAOYSA-N
Molecular Formula C12H15NO4
8,440

4,4'-(1,3-Dimethylbutylidene)diphenol 98.0+%, TCI America™
SDP

CAS: 6807-17-6 Molecular Formula: C18H22O2 Molecular Weight (g/mol): 270.372 InChI Key: VHLLJTHDWPAQEM-UHFFFAOYSA-N Synonym: 2,2-Bis(4-hydroxyphenyl)-4-methylpentane PubChem CID: 81259 IUPAC Name: 4-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol SMILES: CC(C)CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

PubChem CID 81259
CAS 6807-17-6
Molecular Weight (g/mol) 270.372
SMILES CC(C)CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
Synonym 2,2-Bis(4-hydroxyphenyl)-4-methylpentane
IUPAC Name 4-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol
InChI Key VHLLJTHDWPAQEM-UHFFFAOYSA-N
Molecular Formula C18H22O2
8,441

4-Bromo-4'-pentylbiphenyl 99.0+%, TCI America™
SDP

CAS: 63619-59-0 Molecular Formula: C17H19Br Molecular Weight (g/mol): 303.24 MDL Number: MFCD00060106 InChI Key: VXJTWTJULLKDPY-UHFFFAOYSA-N Synonym: 4-Amyl-4′C-bromobiphenyl PubChem CID: 618709 IUPAC Name: 4-bromo-4'-pentyl-1,1'-biphenyl SMILES: CCCCCC1=CC=C(C=C1)C1=CC=C(Br)C=C1

PubChem CID 618709
CAS 63619-59-0
Molecular Weight (g/mol) 303.24
MDL Number MFCD00060106
SMILES CCCCCC1=CC=C(C=C1)C1=CC=C(Br)C=C1
Synonym 4-Amyl-4′C-bromobiphenyl
IUPAC Name 4-bromo-4'-pentyl-1,1'-biphenyl
InChI Key VXJTWTJULLKDPY-UHFFFAOYSA-N
Molecular Formula C17H19Br
8,442

4-Bromobenzonitrile 97.0+%, TCI America™
SDP

CAS: 623-00-7 Molecular Formula: C7H4BrN Molecular Weight (g/mol): 182.02 MDL Number: MFCD00001811 InChI Key: HQSCPPCMBMFJJN-UHFFFAOYSA-N Synonym: p-bromobenzonitrile,benzonitrile, 4-bromo,benzonitrile, p-bromo,1-bromo-4-cyanobenzene,4-bromo benzonitrile,4-cyano-bromobenzene,4-bromo-4'-cyanobenzene,4-cyanobromobenzene,bromobenzonitrile-4,4-bromocyanobenzene PubChem CID: 12162 IUPAC Name: 4-bromobenzonitrile SMILES: BrC1=CC=C(C=C1)C#N

PubChem CID 12162
CAS 623-00-7
Molecular Weight (g/mol) 182.02
MDL Number MFCD00001811
SMILES BrC1=CC=C(C=C1)C#N
Synonym p-bromobenzonitrile,benzonitrile, 4-bromo,benzonitrile, p-bromo,1-bromo-4-cyanobenzene,4-bromo benzonitrile,4-cyano-bromobenzene,4-bromo-4'-cyanobenzene,4-cyanobromobenzene,bromobenzonitrile-4,4-bromocyanobenzene
IUPAC Name 4-bromobenzonitrile
InChI Key HQSCPPCMBMFJJN-UHFFFAOYSA-N
Molecular Formula C7H4BrN
8,443

Pentafluorobenzamide 99.0+%, TCI America™
SDP

CAS: 652-31-3 Molecular Formula: C7H2F5NO Molecular Weight (g/mol): 211.091 MDL Number: MFCD00007971 InChI Key: WPWWHXPRJFDTTJ-UHFFFAOYSA-N PubChem CID: 69547 IUPAC Name: 2,3,4,5,6-pentafluorobenzamide SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)N

PubChem CID 69547
CAS 652-31-3
Molecular Weight (g/mol) 211.091
MDL Number MFCD00007971
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)N
IUPAC Name 2,3,4,5,6-pentafluorobenzamide
InChI Key WPWWHXPRJFDTTJ-UHFFFAOYSA-N
Molecular Formula C7H2F5NO
8,444

2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol 97.0+%, TCI America™
SDP

CAS: 1003298-87-0 Molecular Formula: C12H15BCl2O3 Molecular Weight (g/mol): 288.959 MDL Number: MFCD20526385 InChI Key: IAVSUBSFIDLDNW-UHFFFAOYSA-N Synonym: 3,5-Dichloro-4-hydroxyphenylboronic Acid Pinacol Ester, 2-(3,5-Dichloro-4-hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane PubChem CID: 66715127 IUPAC Name: 2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)O)Cl

PubChem CID 66715127
CAS 1003298-87-0
Molecular Weight (g/mol) 288.959
MDL Number MFCD20526385
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)O)Cl
Synonym 3,5-Dichloro-4-hydroxyphenylboronic Acid Pinacol Ester, 2-(3,5-Dichloro-4-hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name 2,6-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI Key IAVSUBSFIDLDNW-UHFFFAOYSA-N
Molecular Formula C12H15BCl2O3
8,445

4-Fluoroanisole 97.0+%, TCI America™
SDP

CAS: 459-60-9 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00000348 InChI Key: VIPWUFMFHBIKQI-UHFFFAOYSA-N Synonym: 4-fluoroanisole,p-fluoroanisole,benzene, 1-fluoro-4-methoxy,p-fluoromethoxybenzene,p-methoxyfluorobenzene,4-fluoroanisol,p-fluorophenyl methyl ether,anisole, p-fluoro,1-fluoro-4-methoxy-benzene,4-methoxyfluorobenzene PubChem CID: 9987 IUPAC Name: 1-fluoro-4-methoxybenzene SMILES: COC1=CC=C(C=C1)F

PubChem CID 9987
CAS 459-60-9
Molecular Weight (g/mol) 126.13
MDL Number MFCD00000348
SMILES COC1=CC=C(C=C1)F
Synonym 4-fluoroanisole,p-fluoroanisole,benzene, 1-fluoro-4-methoxy,p-fluoromethoxybenzene,p-methoxyfluorobenzene,4-fluoroanisol,p-fluorophenyl methyl ether,anisole, p-fluoro,1-fluoro-4-methoxy-benzene,4-methoxyfluorobenzene
IUPAC Name 1-fluoro-4-methoxybenzene
InChI Key VIPWUFMFHBIKQI-UHFFFAOYSA-N
Molecular Formula C7H7FO