4-(8-methoxy-2-oxo-2H-chromen-3-yl)-2-oxo-2H-chromen-7-yl 2-methylpropanoate

• ChemBase ID: 223442
• Molecular Formular: C23H18O7
• Molecular Mass: 406.38482
• Monoisotopic Mass: 406.10525292
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)cc(OC(=O)C(C)C)cc2
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2)OC(=O)C(C)C
• InChI: InChI=1S/C23H18O7/c1-12(2)22(25)28-14-7-8-15-16(11-20(24)29-19(15)10-14)17-9-13-5-4-6-18(27-3)21(13)30-23(17)26/h4-12H,1-3H3
• InChIKey: UPDJGUUEFMCNLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(8-methoxy-2-oxo-2H-chromen-3-yl)-2-oxo-2H-chromen-7-yl 2-methylpropanoate
• IUPAC Traditional name: 4-(8-methoxy-2-oxochromen-3-yl)-2-oxochromen-7-yl 2-methylpropanoate

Database IDs

• PubChem SID: 164279352
• PubChem CID: 7198202

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.601913
• LogD (pH = 7.4): 3.601913
• Log P: 3.601913
• Molar Refractivity: 107.5291 cm^3
• Polarizability: 41.322136 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds