1-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethan-1-one

• ChemBase ID: 311713
• Molecular Formular: C14H11FO3
• Molecular Mass: 246.2337432
• Monoisotopic Mass: 246.06922243
• SMILES: c1(C(=O)Cc2ccc(F)cc2)c(cc(cc1)O)O
• Canonical SMILES: Fc1ccc(cc1)CC(=O)c1ccc(cc1O)O
• InChI: InChI=1S/C14H11FO3/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,16,18H,7H2
• InChIKey: CXBCJNQNUZOTQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethan-1-one
• IUPAC Traditional name: 1-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone
• Synonyms: 1-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)ethanone

Database IDs

• CAS Number: 15485-70-8
• MDL Number: MFCD00499158

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.5488892
• LogD (pH = 7.4): 3.419971
• Log P: 3.5508044
• Molar Refractivity: 65.3609 cm^3
• Polarizability: 24.547342 Å^3
• Polar Surface Area: 57.53 Å^2