1-(4-fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione

• ChemBase ID: 310797
• Molecular Formular: C15H11FO3
• Molecular Mass: 258.2444432
• Monoisotopic Mass: 258.06922243
• SMILES: C(=O)(CC(=O)c1ccc(cc1)F)c1c(O)cccc1
• Canonical SMILES: Fc1ccc(cc1)C(=O)CC(=O)c1ccccc1O
• InChI: InChI=1S/C15H11FO3/c16-11-7-5-10(6-8-11)14(18)9-15(19)12-3-1-2-4-13(12)17/h1-8,17H,9H2
• InChIKey: LCNADOUVNLWSDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
• IUPAC Traditional name: 1-(4-fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
• Synonyms: 1-(4-fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione

Database IDs

• CAS Number: 135276-47-0
• MDL Number: MFCD20502979

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.6663187
• LogD (pH = 7.4): 3.652506
• Log P: 3.6664975
• Molar Refractivity: 68.8193 cm^3
• Polarizability: 25.834925 Å^3
• Polar Surface Area: 54.37 Å^2