1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone

C15H12F2O — CID 107512541

IUPAC1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
SMILESCc1ccc(C(=O)Cc2ccccc2)c(F)c1F
InChIInChI=1S/C15H12F2O/c1-10-7-8-12(15(17)14(10)16)13(18)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyDJPGADHODDEJIC-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.70
Rot. Bonds3

About 1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone

1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone (PubChem CID 107512541) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
PubChem CID107512541
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
SMILESCc1ccc(C(=O)Cc2ccccc2)c(F)c1F
InChIInChI=1S/C15H12F2O/c1-10-7-8-12(15(17)14(10)16)13(18)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyDJPGADHODDEJIC-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

Analyze 1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-difluoro-4-methylphenyl)-3-oxopropanoic acid
CID 170887172
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62963933
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
1-(2-amino-3-methylphenyl)-2-phenylethanone
CID 68579137
2-(4-chlorophenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 62964096
1-(2,3-difluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 107512597
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107512602
1-[3-(difluoromethyl)-2-fluoro-4-methylphenyl]-2-(4-propylphenyl)ethanone
CID 58953388
1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 64714143
1-[4-hydroxy-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 59088943

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone (CID 107512541) is 1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone is Cc1ccc(C(=O)Cc2ccccc2)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone?
The InChIKey is DJPGADHODDEJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-10-7-8-12(15(17)14(10)16)13(18)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone?
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone 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-(2,3-difluoro-4-methylphenyl)-2-phenylethanone is sourced from PubChem (CID 107512541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).