4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid

C17H15FO3 — CID 24835772

IUPAC4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
SMILESCC(CC(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C17H15FO3/c1-11(17(20)21)10-16(19)14-4-2-12(3-5-14)13-6-8-15(18)9-7-13/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyNOZRJRKRYZIYSD-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.79
Rot. Bonds5

About 4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid

4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid (PubChem CID 24835772) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
PubChem CID24835772
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
SMILESCC(CC(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C17H15FO3/c1-11(17(20)21)10-16(19)14-4-2-12(3-5-14)13-6-8-15(18)9-7-13/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyNOZRJRKRYZIYSD-UHFFFAOYSA-N
XLogP3.79
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[4-(4-fluorophenyl)phenyl]-2-oxoethyl]-4-methylpentanoic acid
CID 139887967
4-(4-fluorophenyl)-4-oxo-2-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 70692011
(2R)-2-methyl-4-(4-nitrophenyl)-4-oxobutanoic acid
CID 825773
3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid
CID 23276830
1-[4-(4-fluorophenyl)phenyl]-2-methoxyethanone
CID 146011430
CID 21154987
CID 21154987
potassium 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoate
CID 23699503
3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one
CID 116606231
4-(4-fluoro-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165003
3-[3-(3-carboxybutanoyl)phenyl]benzoic acid
CID 138046644
2-methyl-4-(6-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 104823190
1-(4-fluorophenyl)-2-methylpentane-1,4-dione
CID 64720461

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid?
The IUPAC name of 4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid (CID 24835772) is 4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid is CC(CC(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)O.
What is the InChIKey of 4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid?
The InChIKey is NOZRJRKRYZIYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-11(17(20)21)10-16(19)14-4-2-12(3-5-14)13-6-8-15(18)9-7-13/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid?
4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid has a molecular weight of 286.30 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid is sourced from PubChem (CID 24835772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).