7-(benzyloxy)-4-(2-oxo-2H-chromen-3-yl)-2H-chromen-2-one

• ChemBase ID: 205691
• Molecular Formular: C25H16O5
• Molecular Mass: 396.39154
• Monoisotopic Mass: 396.09977361
• SMILES: c1(c2c(=O)oc3c(c2)cccc3)c2c(oc(=O)c1)cc(OCc1ccccc1)cc2
• Canonical SMILES: O=c1oc2cc(OCc3ccccc3)ccc2c(c1)c1cc2ccccc2oc1=O
• InChI: InChI=1S/C25H16O5/c26-24-14-20(21-12-17-8-4-5-9-22(17)30-25(21)27)19-11-10-18(13-23(19)29-24)28-15-16-6-2-1-3-7-16/h1-14H,15H2
• InChIKey: COIMNIWOOIEOEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(benzyloxy)-4-(2-oxo-2H-chromen-3-yl)-2H-chromen-2-one
• IUPAC Traditional name: 7-(benzyloxy)-4-(2-oxochromen-3-yl)chromen-2-one

Database IDs

• PubChem SID: 164261601
• PubChem CID: 1774573

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.475603
• LogD (pH = 7.4): 4.475603
• Log P: 4.475603
• Molar Refractivity: 111.8079 cm^3
• Polarizability: 42.76467 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds