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

C15H12F2O — CID 60797589

IUPAC1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H12F2O/c1-10-3-2-4-11(7-10)8-15(18)12-5-6-13(16)14(17)9-12/h2-7,9H,8H2,1H3
InChIKeyVXCSWRZRHXTCGW-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.70
Rot. Bonds3

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

1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone (PubChem CID 60797589) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
PubChem CID60797589
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H12F2O/c1-10-3-2-4-11(7-10)8-15(18)12-5-6-13(16)14(17)9-12/h2-7,9H,8H2,1H3
InChIKeyVXCSWRZRHXTCGW-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-fluoro-4-methoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389398
1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 115481784
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409718
2-(3,5-difluorophenyl)-1-(3-methylphenyl)ethanone
CID 54959513
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
1-(3-methyl-4-nitrophenyl)-2-(3-methylphenyl)ethanone
CID 62389970
2-(3-methylphenyl)-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 115736451
1-(3,4-difluorophenyl)-2-[(3-methylphenyl)methylsulfanyl]propan-1-one
CID 62765037
2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
1-(4-ethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62389764
3,4-difluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992174

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone (CID 60797589) is 1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone?
The InChIKey is VXCSWRZRHXTCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-10-3-2-4-11(7-10)8-15(18)12-5-6-13(16)14(17)9-12/h2-7,9H,8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone?
1-(3,4-difluorophenyl)-2-(3-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-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 60797589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).