7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-phenyl-2H-chromen-2-one

• ChemBase ID: 186486
• Molecular Formular: C23H15FO4
• Molecular Mass: 374.3612032
• Monoisotopic Mass: 374.09543718
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)c1ccc(cc1)F)cc2)c1ccccc1
• Canonical SMILES: Fc1ccc(cc1)C(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C23H15FO4/c24-17-8-6-16(7-9-17)21(25)14-27-18-10-11-19-20(15-4-2-1-3-5-15)13-23(26)28-22(19)12-18/h1-13H,14H2
• InChIKey: SLONDQIFELWUPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164242396
• PubChem CID: 2788388

CALCULATED PROPERTIES

• Acid pKa: 16.73586
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.433811
• LogD (pH = 7.4): 4.433811
• Log P: 4.433811
• Molar Refractivity: 111.6826 cm^3
• Polarizability: 38.94133 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds