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

• ChemBase ID: 210486
• Molecular Formular: C23H20O6
• Molecular Mass: 392.4013
• Monoisotopic Mass: 392.12598836
• SMILES: c1(c2c(=O)oc3c(c2)cccc3OC)c2c(oc(=O)c1)c(c(cc2)OCCC)C
• Canonical SMILES: CCCOc1ccc2c(c1C)oc(=O)cc2c1cc2cccc(c2oc1=O)OC
• InChI: InChI=1S/C23H20O6/c1-4-10-27-18-9-8-15-16(12-20(24)28-21(15)13(18)2)17-11-14-6-5-7-19(26-3)22(14)29-23(17)25/h5-9,11-12H,4,10H2,1-3H3
• InChIKey: PEFHTTWXGZZXLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(8-methoxy-2-oxo-2H-chromen-3-yl)-8-methyl-7-propoxy-2H-chromen-2-one
• IUPAC Traditional name: 4-(8-methoxy-2-oxochromen-3-yl)-8-methyl-7-propoxychromen-2-one

Database IDs

• PubChem SID: 164266396
• PubChem CID: 1793084

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9862103
• LogD (pH = 7.4): 3.9862103
• Log P: 3.9862103
• Molar Refractivity: 107.9723 cm^3
• Polarizability: 41.155495 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds