7-(benzyloxy)-2-methyl-3-phenyl-4H-chromen-4-one

• ChemBase ID: 199157
• Molecular Formular: C23H18O3
• Molecular Mass: 342.38722
• Monoisotopic Mass: 342.12559444
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1ccccc1)cc2)c1ccccc1
• Canonical SMILES: Cc1oc2cc(OCc3ccccc3)ccc2c(=O)c1c1ccccc1
• InChI: InChI=1S/C23H18O3/c1-16-22(18-10-6-3-7-11-18)23(24)20-13-12-19(14-21(20)26-16)25-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3
• InChIKey: ANTPLZFFFWCICZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(benzyloxy)-2-methyl-3-phenyl-4H-chromen-4-one
• IUPAC Traditional name: 7-(benzyloxy)-2-methyl-3-phenylchromen-4-one

Database IDs

• PubChem SID: 164255067
• PubChem CID: 907980

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.106443
• LogD (pH = 7.4): 5.106443
• Log P: 5.106443
• Molar Refractivity: 102.6351 cm^3
• Polarizability: 39.241035 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