3-(4-fluorophenyl)-3-phenylpropanoic acid

• ChemBase ID: 310970
• Molecular Formular: C15H13FO2
• Molecular Mass: 244.2609232
• Monoisotopic Mass: 244.08995788
• SMILES: C(CC(=O)O)(c1ccc(cc1)F)c1ccccc1
• Canonical SMILES: OC(=O)CC(c1ccccc1)c1ccc(cc1)F
• InChI: InChI=1S/C15H13FO2/c16-13-8-6-12(7-9-13)14(10-15(17)18)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)
• InChIKey: NKBOILGAWSETPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)-3-phenylpropanoic acid
• IUPAC Traditional name: 3-(4-fluorophenyl)-3-phenylpropanoic acid
• Synonyms: 3-(4-fluorophenyl)-3-phenylpropanoic acid

Database IDs

• CAS Number: 362-86-7
• MDL Number: MFCD01897573

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.44458
• LogD (pH = 7.4): 0.6957926
• Log P: 3.6190877
• Molar Refractivity: 66.8266 cm^3
• Polarizability: 25.607431 Å^3
• Polar Surface Area: 37.3 Å^2