4-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-methyl-7-(propan-2-yloxy)-2H-chromen-2-one

• ChemBase ID: 209954
• Molecular Formular: C23H20O6
• Molecular Mass: 392.4013
• Monoisotopic Mass: 392.12598836
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(c(c(OC(C)C)cc2)C)oc(=O)c1
• Canonical SMILES: COc1cccc2c1oc(=O)c(c2)c1cc(=O)oc2c1ccc(c2C)OC(C)C
• InChI: InChI=1S/C23H20O6/c1-12(2)27-18-9-8-15-16(11-20(24)28-21(15)13(18)3)17-10-14-6-5-7-19(26-4)22(14)29-23(17)25/h5-12H,1-4H3
• InChIKey: JVOPIIVWJJHFSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-methyl-7-(propan-2-yloxy)-2H-chromen-2-one
• IUPAC Traditional name: 7-isopropoxy-4-(8-methoxy-2-oxochromen-3-yl)-8-methylchromen-2-one

Database IDs

• PubChem SID: 164265864
• PubChem CID: 1788831

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8802629
• LogD (pH = 7.4): 3.8802629
• Log P: 3.8802629
• Molar Refractivity: 107.8671 cm^3
• Polarizability: 41.155357 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds