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

• ChemBase ID: 208856
• Molecular Formular: C24H20O8
• Molecular Mass: 436.4108
• Monoisotopic Mass: 436.1158176
• SMILES: c1(c2c(=O)oc3c(c2)ccc(c3)OCC(=O)OC(C)C)c2c(oc(=O)c1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)oc(=O)cc2c1cc2ccc(cc2oc1=O)OCC(=O)OC(C)C
• InChI: InChI=1S/C24H20O8/c1-13(2)30-23(26)12-29-16-5-4-14-8-19(24(27)32-20(14)10-16)18-11-22(25)31-21-9-15(28-3)6-7-17(18)21/h4-11,13H,12H2,1-3H3
• InChIKey: ZVZVODBOSPFNBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164264766
• PubChem CID: 1807720

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: 43.88029 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