7-[(7-methoxy-2-oxo-2H-chromen-4-yl)methoxy]-3-(2-methoxyphenyl)-2-methyl-4H-chromen-4-one

• ChemBase ID: 195565
• Molecular Formular: C28H22O7
• Molecular Mass: 470.47008
• Monoisotopic Mass: 470.13655304
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1c3c(oc(=O)c1)cc(cc3)OC)cc2)c1c(OC)cccc1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2COc1ccc2c(c1)oc(c(c2=O)c1ccccc1OC)C
• InChI: InChI=1S/C28H22O7/c1-16-27(21-6-4-5-7-23(21)32-3)28(30)22-11-9-19(14-25(22)34-16)33-15-17-12-26(29)35-24-13-18(31-2)8-10-20(17)24/h4-14H,15H2,1-3H3
• InChIKey: VFCYDZMGWAQVDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251475
• PubChem CID: 1522878

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.3871875
• LogD (pH = 7.4): 4.3871875
• Log P: 4.3871875
• Molar Refractivity: 130.2929 cm^3
• Polarizability: 49.630608 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds