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

• ChemBase ID: 196550
• Molecular Formular: C27H20O6
• Molecular Mass: 440.4441
• Monoisotopic Mass: 440.12598836
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1c3c(oc(=O)c1)cc(cc3)OC)cc2)c1ccccc1
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C
• InChI: InChI=1S/C27H20O6/c1-16-26(17-6-4-3-5-7-17)27(29)22-11-9-20(14-24(22)32-16)31-15-18-12-25(28)33-23-13-19(30-2)8-10-21(18)23/h3-14H,15H2,1-2H3
• InChIKey: MBNUDZBOVNEINV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252460
• PubChem CID: 1522879

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.5448585
• LogD (pH = 7.4): 4.5448585
• Log P: 4.5448585
• Molar Refractivity: 123.8297 cm^3
• Polarizability: 47.105118 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds