7-[(2-methoxyphenyl)methoxy]-4-phenyl-2H-chromen-2-one

• ChemBase ID: 188179
• Molecular Formular: C23H18O4
• Molecular Mass: 358.38662
• Monoisotopic Mass: 358.12050906
• SMILES: c1(c2c(oc(=O)c1)cc(OCc1c(OC)cccc1)cc2)c1ccccc1
• Canonical SMILES: COc1ccccc1COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C23H18O4/c1-25-21-10-6-5-9-17(21)15-26-18-11-12-19-20(16-7-3-2-4-8-16)14-23(24)27-22(19)13-18/h2-14H,15H2,1H3
• InChIKey: USFAPXAZZPMOMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244089
• PubChem CID: 1325533

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.6256886
• LogD (pH = 7.4): 4.6256886
• Log P: 4.6256886
• Molar Refractivity: 112.6403 cm^3
• Polarizability: 39.91199 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds