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

• ChemBase ID: 205863
• Molecular Formular: C25H14Cl2O5
• Molecular Mass: 465.28166
• Monoisotopic Mass: 464.02182891
• SMILES: c1(c2c(=O)oc3c(c2)cccc3)c2c(oc(=O)c1)cc(OCc1c(cc(cc1)Cl)Cl)cc2
• Canonical SMILES: Clc1ccc(c(c1)Cl)COc1ccc2c(c1)oc(=O)cc2c1cc2ccccc2oc1=O
• InChI: InChI=1S/C25H14Cl2O5/c26-16-6-5-15(21(27)10-16)13-30-17-7-8-18-19(12-24(28)31-23(18)11-17)20-9-14-3-1-2-4-22(14)32-25(20)29/h1-12H,13H2
• InChIKey: SCRBTCLQMXGJGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164261773
• PubChem CID: 1775173

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.6836925
• LogD (pH = 7.4): 5.6836925
• Log P: 5.6836925
• Molar Refractivity: 121.4175 cm^3
• Polarizability: 46.534405 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds