5-(benzyloxy)-7-methyl-4-phenyl-2H-chromen-2-one

• ChemBase ID: 184399
• Molecular Formular: C23H18O3
• Molecular Mass: 342.38722
• Monoisotopic Mass: 342.12559444
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OCc1ccccc1)C)c1ccccc1
• Canonical SMILES: Cc1cc(OCc2ccccc2)c2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C23H18O3/c1-16-12-20(25-15-17-8-4-2-5-9-17)23-19(18-10-6-3-7-11-18)14-22(24)26-21(23)13-16/h2-14H,15H2,1H3
• InChIKey: ADAVTDCWEWXNDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(benzyloxy)-7-methyl-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 5-(benzyloxy)-7-methyl-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164240309
• PubChem CID: 3729152

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.2967815
• LogD (pH = 7.4): 5.2967815
• Log P: 5.2967815
• Molar Refractivity: 111.2183 cm^3
• Polarizability: 39.17951 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds