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

• ChemBase ID: 193639
• Molecular Formular: C24H20O4
• Molecular Mass: 372.4132
• Monoisotopic Mass: 372.13615912
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1ccccc1)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C24H20O4/c1-16-23(18-8-10-19(26-2)11-9-18)24(25)21-13-12-20(14-22(21)28-16)27-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3
• InChIKey: XBJITSDTKVMANW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249549
• PubChem CID: 1426511

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.9487715
• LogD (pH = 7.4): 4.9487715
• Log P: 4.9487715
• Molar Refractivity: 109.0983 cm^3
• Polarizability: 41.739857 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