ethyl 2-{[4-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetate

• ChemBase ID: 205263
• Molecular Formular: C24H20O8
• Molecular Mass: 436.4108
• Monoisotopic Mass: 436.1158176
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)c(c(OCC(=O)OCC)cc2)C
• Canonical SMILES: CCOC(=O)COc1ccc2c(c1C)oc(=O)cc2c1cc2cccc(c2oc1=O)OC
• InChI: InChI=1S/C24H20O8/c1-4-29-21(26)12-30-18-9-8-15-16(11-20(25)31-22(15)13(18)2)17-10-14-6-5-7-19(28-3)23(14)32-24(17)27/h5-11H,4,12H2,1-3H3
• InChIKey: ZDXMPSDIDSYDBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-{[4-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}acetate
• IUPAC Traditional name: ethyl 2-{[4-(8-methoxy-2-oxochromen-3-yl)-8-methyl-2-oxochromen-7-yl]oxy}acetate

Database IDs

• PubChem SID: 164261173
• PubChem CID: 1772493

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0875652
• LogD (pH = 7.4): 3.0875652
• Log P: 3.0875652
• Molar Refractivity: 114.302 cm^3
• Polarizability: 43.81029 Å^3
• Polar Surface Area: 97.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds