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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 (67,767)
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Naphthalenes (5,075)
Fluorenes (1,235)
Unsubstituted Phenols (1,166)
Thiophenols (617)
Phenol esters (564)
Anthracenes (413)
Phenanthrenes and derivatives (327)
Tetralins (327)
Indanes (313)
Triphenyl compounds (277)
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Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
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1-hydroxylamino 2-unsubstituted benzenoids (6)

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10,966 – 10,980 of 78,692 results
10,966

2-Chloro-5-(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2782670
CAS 182344-18-9
Molecular Weight (g/mol) 224.37
MDL Number MFCD00797335
Color White
Physical Form Crystalline Powder
SMILES B(C1=C(C=CC(=C1)C(F)(F)F)Cl)(O)O
TSCA No
IUPAC Name [2-chloro-5-(trifluoromethyl)phenyl]boronic acid
InChI Key YVMXEHZEYONARR-UHFFFAOYSA-N
Molecular Formula C7H5BClF3O2
Formula Weight 224.37
Melting Point 108°C
10,967

[3-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium Trifluoromethanesulfonate 98.0+%, TCI America™

CAS: 1204518-08-0 Molecular Formula: C17H15F6IO3S Molecular Weight (g/mol): 540.259 MDL Number: MFCD20264880 InChI Key: FKQZCCNYTGBVPK-UHFFFAOYSA-M Synonym: Mesityl[3-(trifluoromethyl)phenyl]iodonium Triflate PubChem CID: 45379265 IUPAC Name: trifluoromethanesulfonate;[3-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium SMILES: CC1=CC(=C(C(=C1)C)[I+]C2=CC=CC(=C2)C(F)(F)F)C.C(F)(F)(F)S(=O)(=O)[O-]

PubChem CID 45379265
CAS 1204518-08-0
Molecular Weight (g/mol) 540.259
MDL Number MFCD20264880
SMILES CC1=CC(=C(C(=C1)C)[I+]C2=CC=CC(=C2)C(F)(F)F)C.C(F)(F)(F)S(=O)(=O)[O-]
Synonym Mesityl[3-(trifluoromethyl)phenyl]iodonium Triflate
IUPAC Name trifluoromethanesulfonate;[3-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium
InChI Key FKQZCCNYTGBVPK-UHFFFAOYSA-M
Molecular Formula C17H15F6IO3S
10,968

4-Chloro-3-(trifluoromethyl)benzaldehyde 97.0+%, TCI America™

CAS: 34328-46-6 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.564 MDL Number: MFCD00040722 InChI Key: NIHMMULLFBKTOK-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl benzaldehyde,4-chloro-3-trifluoromethyl-benzaldehyde,2-chloro-5-formylbenzotrifluoride,benzaldehyde, 4-chloro-3-trifluoromethyl,pubchem2892,acmc-1adw8,timtec-bb sbb003468,4-chloro-3trifluoromethyl-benzaldehyde,3-trifluoromethyl-4-chloro-benzaldehyde,4-chloranyl-3-trifluoromethyl benzaldehyde PubChem CID: 118642 IUPAC Name: 4-chloro-3-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=C(C=C1C=O)C(F)(F)F)Cl

PubChem CID 118642
CAS 34328-46-6
Molecular Weight (g/mol) 208.564
MDL Number MFCD00040722
SMILES C1=CC(=C(C=C1C=O)C(F)(F)F)Cl
Synonym 4-chloro-3-trifluoromethyl benzaldehyde,4-chloro-3-trifluoromethyl-benzaldehyde,2-chloro-5-formylbenzotrifluoride,benzaldehyde, 4-chloro-3-trifluoromethyl,pubchem2892,acmc-1adw8,timtec-bb sbb003468,4-chloro-3trifluoromethyl-benzaldehyde,3-trifluoromethyl-4-chloro-benzaldehyde,4-chloranyl-3-trifluoromethyl benzaldehyde
IUPAC Name 4-chloro-3-(trifluoromethyl)benzaldehyde
InChI Key NIHMMULLFBKTOK-UHFFFAOYSA-N
Molecular Formula C8H4ClF3O
10,969

3-(Trifluoromethyl)phenyl Isothiocyanate 98.0+%, TCI America™

CAS: 1840-19-3 Molecular Formula: C8H4F3NS Molecular Weight (g/mol): 203.182 MDL Number: MFCD00004806 InChI Key: GFEPANUKFYVALF-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl benzene,3-trifluoromethyl phenylisothiocyanate,benzene, 1-isothiocyanato-3-trifluoromethyl,m-trifluoromethyl phenyl isothiocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isothiocyanate,3-trifluoromethylphenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl-benzene,benzene,1-isothiocyanato-3-trifluoromethyl PubChem CID: 137232 IUPAC Name: 1-isothiocyanato-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)N=C=S)C(F)(F)F

PubChem CID 137232
CAS 1840-19-3
Molecular Weight (g/mol) 203.182
MDL Number MFCD00004806
SMILES C1=CC(=CC(=C1)N=C=S)C(F)(F)F
Synonym 3-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl benzene,3-trifluoromethyl phenylisothiocyanate,benzene, 1-isothiocyanato-3-trifluoromethyl,m-trifluoromethyl phenyl isothiocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isothiocyanate,3-trifluoromethylphenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl-benzene,benzene,1-isothiocyanato-3-trifluoromethyl
IUPAC Name 1-isothiocyanato-3-(trifluoromethyl)benzene
InChI Key GFEPANUKFYVALF-UHFFFAOYSA-N
Molecular Formula C8H4F3NS
10,970

Bis[2-(4-methoxyphenoxy)ethyl] Ether 98.0+%, TCI America™

CAS: 104104-12-3 Molecular Formula: C18H22O5 Molecular Weight (g/mol): 318.369 MDL Number: MFCD00143755 InChI Key: AJXHXSKQHBJNPB-UHFFFAOYSA-N PubChem CID: 629140 IUPAC Name: 1-methoxy-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene SMILES: COC1=CC=C(C=C1)OCCOCCOC2=CC=C(C=C2)OC

PubChem CID 629140
CAS 104104-12-3
Molecular Weight (g/mol) 318.369
MDL Number MFCD00143755
SMILES COC1=CC=C(C=C1)OCCOCCOC2=CC=C(C=C2)OC
IUPAC Name 1-methoxy-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
InChI Key AJXHXSKQHBJNPB-UHFFFAOYSA-N
Molecular Formula C18H22O5
10,971

2,6-Dibromoanisole 98.0+%, TCI America™

CAS: 38603-09-7 Molecular Formula: C7H6Br2O Molecular Weight (g/mol): 265.93 MDL Number: MFCD00093270 InChI Key: BMZVDHQOAJUZJL-UHFFFAOYSA-N Synonym: 1,3-Dibromo-2-methoxybenzene PubChem CID: 181584 IUPAC Name: 1,3-dibromo-2-methoxybenzene SMILES: COC1=C(Br)C=CC=C1Br

PubChem CID 181584
CAS 38603-09-7
Molecular Weight (g/mol) 265.93
MDL Number MFCD00093270
SMILES COC1=C(Br)C=CC=C1Br
Synonym 1,3-Dibromo-2-methoxybenzene
IUPAC Name 1,3-dibromo-2-methoxybenzene
InChI Key BMZVDHQOAJUZJL-UHFFFAOYSA-N
Molecular Formula C7H6Br2O
10,972

4-Bromo-2,6-difluoroanisole 98.0+%, TCI America™

CAS: 104197-14-0 Molecular Formula: C7H5BrF2O Molecular Weight (g/mol): 223.02 MDL Number: MFCD01631351 InChI Key: CDOQKISJPOWBKC-UHFFFAOYSA-N Synonym: 4-bromo-2,6-difluoroanisole,5-bromo-1,3-difluoro-2-methoxy-benzene,4-bromo-2,6-difluorophenyl methyl ether,benzene, 5-bromo-1,3-difluoro-2-methoxy,pubchem8361,acmc-1bo3j,4-bromo-2,6-difluoranisole,ksc183c9b,4-bromo-2,6-difluoro-anisol,3,5-difluoro-4-methoxy-bromobenzene PubChem CID: 2773287 IUPAC Name: 5-bromo-1,3-difluoro-2-methoxybenzene SMILES: COC1=C(F)C=C(Br)C=C1F

PubChem CID 2773287
CAS 104197-14-0
Molecular Weight (g/mol) 223.02
MDL Number MFCD01631351
SMILES COC1=C(F)C=C(Br)C=C1F
Synonym 4-bromo-2,6-difluoroanisole,5-bromo-1,3-difluoro-2-methoxy-benzene,4-bromo-2,6-difluorophenyl methyl ether,benzene, 5-bromo-1,3-difluoro-2-methoxy,pubchem8361,acmc-1bo3j,4-bromo-2,6-difluoranisole,ksc183c9b,4-bromo-2,6-difluoro-anisol,3,5-difluoro-4-methoxy-bromobenzene
IUPAC Name 5-bromo-1,3-difluoro-2-methoxybenzene
InChI Key CDOQKISJPOWBKC-UHFFFAOYSA-N
Molecular Formula C7H5BrF2O
10,973

3,4-Difluoroanisole 97.0+%, TCI America™

CAS: 115144-40-6 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.121 MDL Number: MFCD00010730 InChI Key: DSEVNUCNUTYYHW-UHFFFAOYSA-N Synonym: 3,4-difluoroanisole,1,2-difluoro-4-methoxy-benzene,benzene, 1,2-difluoro-4-methoxy,3,4-difluoro-1-methoxybenzene,1,2-difluor-4-methoxybenzol,pubchem3457,3,4-difluoro-anisole,difluorobenzene,1-methoxy,acmc-2099pe PubChem CID: 568250 IUPAC Name: 1,2-difluoro-4-methoxybenzene SMILES: COC1=CC(=C(C=C1)F)F

PubChem CID 568250
CAS 115144-40-6
Molecular Weight (g/mol) 144.121
MDL Number MFCD00010730
SMILES COC1=CC(=C(C=C1)F)F
Synonym 3,4-difluoroanisole,1,2-difluoro-4-methoxy-benzene,benzene, 1,2-difluoro-4-methoxy,3,4-difluoro-1-methoxybenzene,1,2-difluor-4-methoxybenzol,pubchem3457,3,4-difluoro-anisole,difluorobenzene,1-methoxy,acmc-2099pe
IUPAC Name 1,2-difluoro-4-methoxybenzene
InChI Key DSEVNUCNUTYYHW-UHFFFAOYSA-N
Molecular Formula C7H6F2O
10,974

1-Ethyl-4-[(4-methoxyphenyl)ethynyl]benzene 98.0+%, TCI America™

CAS: 63221-88-5 Molecular Formula: C17H16O Molecular Weight (g/mol): 236.31 MDL Number: MFCD00807428 InChI Key: YWDALJMLXXWXFP-UHFFFAOYSA-N Synonym: 1-ethyl-4-4-methoxyphenyl ethynyl benzene,1-4-ethylphenyl-2-4-methoxyphenyl acetylene,4-4-ethylphenyl ethynyl anisole,1-ethyl-4-2-4-methoxyphenyl ethynyl benzene,benzene,1-ethyl-4-2-4-methoxyphenyl ethynyl,1-2-4-ethylphenyl ethynyl-4-methoxybenzene,4-methoxy-4'-ethyltolane,acmc-209ne1 PubChem CID: 3952083 IUPAC Name: 1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]benzene SMILES: CCC1=CC=C(C=C1)C#CC1=CC=C(OC)C=C1

PubChem CID 3952083
CAS 63221-88-5
Molecular Weight (g/mol) 236.31
MDL Number MFCD00807428
SMILES CCC1=CC=C(C=C1)C#CC1=CC=C(OC)C=C1
Synonym 1-ethyl-4-4-methoxyphenyl ethynyl benzene,1-4-ethylphenyl-2-4-methoxyphenyl acetylene,4-4-ethylphenyl ethynyl anisole,1-ethyl-4-2-4-methoxyphenyl ethynyl benzene,benzene,1-ethyl-4-2-4-methoxyphenyl ethynyl,1-2-4-ethylphenyl ethynyl-4-methoxybenzene,4-methoxy-4'-ethyltolane,acmc-209ne1
IUPAC Name 1-ethyl-4-[2-(4-methoxyphenyl)ethynyl]benzene
InChI Key YWDALJMLXXWXFP-UHFFFAOYSA-N
Molecular Formula C17H16O
10,975

2-Chloro-6-methoxytoluene 96.0+%, TCI America™

CAS: 3260-88-6 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00070772 InChI Key: LTVRGAWOEOKGJZ-UHFFFAOYSA-N Synonym: 3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa PubChem CID: 76749 IUPAC Name: 1-chloro-3-methoxy-2-methylbenzene SMILES: COC1=CC=CC(Cl)=C1C

PubChem CID 76749
CAS 3260-88-6
Molecular Weight (g/mol) 156.61
MDL Number MFCD00070772
SMILES COC1=CC=CC(Cl)=C1C
Synonym 3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa
IUPAC Name 1-chloro-3-methoxy-2-methylbenzene
InChI Key LTVRGAWOEOKGJZ-UHFFFAOYSA-N
Molecular Formula C8H9ClO
10,976

3-Methoxyphenethyl Alcohol 98.0+%, TCI America™

CAS: 5020-41-7 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00002893 InChI Key: UPPGEJSCUZMCMW-UHFFFAOYSA-N Synonym: 2-3-methoxyphenyl ethanol,3-methoxyphenethyl alcohol,benzeneethanol, 3-methoxy,2-3-methoxyphenyl ethan-1-ol,phenethyl alcohol, m-methoxy,3-methoxybenzeneethanol,m-methoxyphenethyl alcohol,1-2-hydroxyethyl-3-methoxybenzene,acmc-20abd2,3-methoxyphenethylalcohol PubChem CID: 78724 IUPAC Name: 2-(3-methoxyphenyl)ethanol SMILES: COC1=CC=CC(=C1)CCO

PubChem CID 78724
CAS 5020-41-7
Molecular Weight (g/mol) 152.193
MDL Number MFCD00002893
SMILES COC1=CC=CC(=C1)CCO
Synonym 2-3-methoxyphenyl ethanol,3-methoxyphenethyl alcohol,benzeneethanol, 3-methoxy,2-3-methoxyphenyl ethan-1-ol,phenethyl alcohol, m-methoxy,3-methoxybenzeneethanol,m-methoxyphenethyl alcohol,1-2-hydroxyethyl-3-methoxybenzene,acmc-20abd2,3-methoxyphenethylalcohol
IUPAC Name 2-(3-methoxyphenyl)ethanol
InChI Key UPPGEJSCUZMCMW-UHFFFAOYSA-N
Molecular Formula C9H12O2
10,977

2-Chloro-4-fluoroanisole 97.0+%, TCI America™

CAS: 2267-25-6 Molecular Formula: C7H6ClFO Molecular Weight (g/mol): 160.57 MDL Number: MFCD00672965 InChI Key: RKCGJVGMRPKPNY-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoroanisole,benzene, 2-chloro-4-fluoro-1-methoxy,2-chloro-4-fluoro-1-methoxy-benzene,pubchem2658,acmc-1cnak,intermediates-zcf02609,ksc497i7l PubChem CID: 2773580 IUPAC Name: 2-chloro-4-fluoro-1-methoxybenzene SMILES: COC1=CC=C(F)C=C1Cl

PubChem CID 2773580
CAS 2267-25-6
Molecular Weight (g/mol) 160.57
MDL Number MFCD00672965
SMILES COC1=CC=C(F)C=C1Cl
Synonym 2-chloro-4-fluoroanisole,benzene, 2-chloro-4-fluoro-1-methoxy,2-chloro-4-fluoro-1-methoxy-benzene,pubchem2658,acmc-1cnak,intermediates-zcf02609,ksc497i7l
IUPAC Name 2-chloro-4-fluoro-1-methoxybenzene
InChI Key RKCGJVGMRPKPNY-UHFFFAOYSA-N
Molecular Formula C7H6ClFO
10,978

3-Methoxytoluene 98.0+%, TCI America™

CAS: 100-84-5 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00008395 InChI Key: OSIGJGFTADMDOB-UHFFFAOYSA-N Synonym: 3-methylanisole,3-methoxytoluene,m-methylanisole,m-cresol methyl ether,m-methoxytoluene,benzene, 1-methoxy-3-methyl,anisole, m-methyl,methyl m-tolyl ether,m-cresyl methyl ether,methyl m-cresyl ether PubChem CID: 7530 IUPAC Name: 1-methoxy-3-methylbenzene SMILES: COC1=CC=CC(C)=C1

PubChem CID 7530
CAS 100-84-5
Molecular Weight (g/mol) 122.17
MDL Number MFCD00008395
SMILES COC1=CC=CC(C)=C1
Synonym 3-methylanisole,3-methoxytoluene,m-methylanisole,m-cresol methyl ether,m-methoxytoluene,benzene, 1-methoxy-3-methyl,anisole, m-methyl,methyl m-tolyl ether,m-cresyl methyl ether,methyl m-cresyl ether
IUPAC Name 1-methoxy-3-methylbenzene
InChI Key OSIGJGFTADMDOB-UHFFFAOYSA-N
Molecular Formula C8H10O
10,979

2-(1-Adamantyl)-4-bromoanisole 98.0+%, TCI America™

CAS: 104224-63-7 Molecular Formula: C17H21BrO Molecular Weight (g/mol): 321.258 MDL Number: MFCD03855308 InChI Key: QQAMHHZQONQBFZ-UHFFFAOYSA-N Synonym: 1-(5-Bromo-2-methoxyphenyl)adamantane PubChem CID: 3285024 IUPAC Name: 1-(5-bromo-2-methoxyphenyl)adamantane SMILES: COC1=C(C=C(C=C1)Br)C23CC4CC(C2)CC(C4)C3

PubChem CID 3285024
CAS 104224-63-7
Molecular Weight (g/mol) 321.258
MDL Number MFCD03855308
SMILES COC1=C(C=C(C=C1)Br)C23CC4CC(C2)CC(C4)C3
Synonym 1-(5-Bromo-2-methoxyphenyl)adamantane
IUPAC Name 1-(5-bromo-2-methoxyphenyl)adamantane
InChI Key QQAMHHZQONQBFZ-UHFFFAOYSA-N
Molecular Formula C17H21BrO
10,980

2,3-Difluoro-4-[(trans-4-propylcyclohexyl)methoxy]anisole 98.0+%, TCI America™

CAS: 1373116-00-7 Molecular Formula: C17H24F2O2 Molecular Weight (g/mol): 298.37 MDL Number: MFCD28976165 InChI Key: VPEMEZFAMQJFFP-UHFFFAOYSA-N Synonym: 2,3-Difluoro-1-methoxy-4-[(trans-4-propylcyclohexyl)methoxy]benzene PubChem CID: 57583104 IUPAC Name: 2,3-difluoro-1-methoxy-4-[(4-propylcyclohexyl)methoxy]benzene SMILES: CCCC1CCC(COC2=C(F)C(F)=C(OC)C=C2)CC1

PubChem CID 57583104
CAS 1373116-00-7
Molecular Weight (g/mol) 298.37
MDL Number MFCD28976165
SMILES CCCC1CCC(COC2=C(F)C(F)=C(OC)C=C2)CC1
Synonym 2,3-Difluoro-1-methoxy-4-[(trans-4-propylcyclohexyl)methoxy]benzene
IUPAC Name 2,3-difluoro-1-methoxy-4-[(4-propylcyclohexyl)methoxy]benzene
InChI Key VPEMEZFAMQJFFP-UHFFFAOYSA-N
Molecular Formula C17H24F2O2