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

• ChemBase ID: 206119
• Molecular Formular: C27H20O6
• Molecular Mass: 440.4441
• Monoisotopic Mass: 440.12598836
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)c(c(OCc1ccccc1)cc2)C
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2C)OCc1ccccc1
• InChI: InChI=1S/C27H20O6/c1-16-22(31-15-17-7-4-3-5-8-17)12-11-19-20(14-24(28)32-25(16)19)21-13-18-9-6-10-23(30-2)26(18)33-27(21)29/h3-14H,15H2,1-2H3
• InChIKey: MFCGFTXDJVVYHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164262029
• PubChem CID: 1806853

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.831353
• LogD (pH = 7.4): 4.831353
• Log P: 4.831353
• Molar Refractivity: 123.3123 cm^3
• Polarizability: 47.05189 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