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

• ChemBase ID: 212168
• Molecular Formular: C26H18O6
• Molecular Mass: 426.41752
• Monoisotopic Mass: 426.1103383
• SMILES: c1(c2c(=O)oc3c(c2)ccc(c3)OCc2ccccc2)c2c(oc(=O)c1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2c1cc2ccc(cc2oc1=O)OCc1ccccc1
• InChI: InChI=1S/C26H18O6/c1-29-18-9-10-20-21(14-25(27)31-24(20)12-18)22-11-17-7-8-19(13-23(17)32-26(22)28)30-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3
• InChIKey: BJORXSAWBPSICA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164268078
• PubChem CID: 4964314

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: 45.283516 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