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

• ChemBase ID: 207245
• Molecular Formular: C27H18Cl2O6
• Molecular Mass: 509.33422
• Monoisotopic Mass: 508.04804366
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)c(c(OCc1cc(c(cc1)Cl)Cl)cc2)C
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2C)OCc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C27H18Cl2O6/c1-14-22(33-13-15-6-8-20(28)21(29)10-15)9-7-17-18(12-24(30)34-25(14)17)19-11-16-4-3-5-23(32-2)26(16)35-27(19)31/h3-12H,13H2,1-2H3
• InChIKey: DMFHWONGBPAZQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164263155
• PubChem CID: 1778492

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.0394425
• LogD (pH = 7.4): 6.0394425
• Log P: 6.0394425
• Molar Refractivity: 132.9219 cm^3
• Polarizability: 50.85878 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