7-[(1-oxo-1-phenylpropan-2-yl)oxy]-4-phenyl-2H-chromen-2-one

• ChemBase ID: 186519
• Molecular Formular: C24H18O4
• Molecular Mass: 370.39732
• Monoisotopic Mass: 370.12050906
• SMILES: c1(c2c(oc(=O)c1)cc(OC(C(=O)c1ccccc1)C)cc2)c1ccccc1
• Canonical SMILES: O=c1oc2cc(ccc2c(c1)c1ccccc1)OC(C(=O)c1ccccc1)C
• InChI: InChI=1S/C24H18O4/c1-16(24(26)18-10-6-3-7-11-18)27-19-12-13-20-21(17-8-4-2-5-9-17)15-23(25)28-22(20)14-19/h2-16H,1H3
• InChIKey: YPLIABLCDUNQCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(1-oxo-1-phenylpropan-2-yl)oxy]-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 7-[(1-oxo-1-phenylpropan-2-yl)oxy]-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164242429
• PubChem CID: 3821221

CALCULATED PROPERTIES

• Acid pKa: 16.935955
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.8598733
• LogD (pH = 7.4): 4.8598733
• Log P: 4.8598733
• Molar Refractivity: 115.9601 cm^3
• Polarizability: 41.13226 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