7-[(2,6-difluorophenyl)methoxy]-4-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-methyl-2H-chromen-2-one

• ChemBase ID: 205721
• Molecular Formular: C27H18F2O6
• Molecular Mass: 476.4250264
• Monoisotopic Mass: 476.10714474
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)c(c(OCc1c(F)cccc1F)cc2)C
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2C)OCc1c(F)cccc1F
• InChI: InChI=1S/C27H18F2O6/c1-14-22(33-13-19-20(28)6-4-7-21(19)29)10-9-16-17(12-24(30)34-25(14)16)18-11-15-5-3-8-23(32-2)26(15)35-27(18)31/h3-12H,13H2,1-2H3
• InChIKey: HKHNZNRHENXJSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2,6-difluorophenyl)methoxy]-4-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-methyl-2H-chromen-2-one
• IUPAC Traditional name: 7-[(2,6-difluorophenyl)methoxy]-4-(8-methoxy-2-oxochromen-3-yl)-8-methylchromen-2-one

Database IDs

• PubChem SID: 164261631
• PubChem CID: 1774661

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.116757
• LogD (pH = 7.4): 5.116757
• Log P: 5.116757
• Molar Refractivity: 123.7451 cm^3
• Polarizability: 46.447178 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds