3-[7-(benzyloxy)-2-oxo-2H-chromen-4-yl]-8-methoxy-2H-chromen-2-one

• ChemBase ID: 206316
• Molecular Formular: C26H18O6
• Molecular Mass: 426.41752
• Monoisotopic Mass: 426.1103383
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)cc(OCc1ccccc1)cc2
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2)OCc1ccccc1
• InChI: InChI=1S/C26H18O6/c1-29-22-9-5-8-17-12-21(26(28)32-25(17)22)20-14-24(27)31-23-13-18(10-11-19(20)23)30-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3
• InChIKey: FYIQHJNUEFTWIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[7-(benzyloxy)-2-oxo-2H-chromen-4-yl]-8-methoxy-2H-chromen-2-one
• IUPAC Traditional name: 3-[7-(benzyloxy)-2-oxochromen-4-yl]-8-methoxychromen-2-one

Database IDs

• PubChem SID: 164262226
• PubChem CID: 1807428

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.3179317
• LogD (pH = 7.4): 4.3179317
• Log P: 4.3179317
• Molar Refractivity: 118.2711 cm^3
• Polarizability: 45.285984 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds