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

• ChemBase ID: 223910
• Molecular Formular: C24H20O8
• Molecular Mass: 436.4108
• Monoisotopic Mass: 436.1158176
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)cc(OCC(=O)OC(C)C)cc2
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2)OCC(=O)OC(C)C
• InChI: InChI=1S/C24H20O8/c1-13(2)30-22(26)12-29-15-7-8-16-17(11-21(25)31-20(16)10-15)18-9-14-5-4-6-19(28-3)23(14)32-24(18)27/h4-11,13H,12H2,1-3H3
• InChIKey: VRBJWQMWHDLBQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279820
• PubChem CID: 16450256

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9907188
• LogD (pH = 7.4): 2.9907188
• Log P: 2.9907188
• Molar Refractivity: 113.6796 cm^3
• Polarizability: 43.882687 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