1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone

C15H12F2O — CID 54980088

IUPAC1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H12F2O/c1-10-2-4-11(5-3-10)6-15(18)12-7-13(16)9-14(17)8-12/h2-5,7-9H,6H2,1H3
InChIKeyGBTKUPCTTGUMBO-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.70
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone

1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone (PubChem CID 54980088) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
PubChem CID54980088
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C15H12F2O/c1-10-2-4-11(5-3-10)6-15(18)12-7-13(16)9-14(17)8-12/h2-5,7-9H,6H2,1H3
InChIKeyGBTKUPCTTGUMBO-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
2-(4-bromophenyl)-1-(3,5-difluorophenyl)ethanone
CID 61055894
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
CID 79701233
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
CID 54959513
2-(4-methylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 61078269
1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412246
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
2-(2,4-difluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 79705234

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone (CID 54980088) is 1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone?
The InChIKey is GBTKUPCTTGUMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-10-2-4-11(5-3-10)6-15(18)12-7-13(16)9-14(17)8-12/h2-5,7-9H,6H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone?
1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone has a molecular weight of 246.26 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 54980088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).