4-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methoxy]-2H-chromen-2-one

• ChemBase ID: 187977
• Molecular Formular: C24H20O5
• Molecular Mass: 388.4126
• Monoisotopic Mass: 388.13107374
• SMILES: c1(c2c(oc(=O)c1)cc(OCc1c(OC)cccc1)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1cc(=O)oc2c1ccc(c2)OCc1ccccc1OC
• InChI: InChI=1S/C24H20O5/c1-26-18-9-7-16(8-10-18)21-14-24(25)29-23-13-19(11-12-20(21)23)28-15-17-5-3-4-6-22(17)27-2/h3-14H,15H2,1-2H3
• InChIKey: LPXVYZDOKZSEBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methoxy]-2H-chromen-2-one
• IUPAC Traditional name: 4-(4-methoxyphenyl)-7-[(2-methoxyphenyl)methoxy]chromen-2-one

Database IDs

• PubChem SID: 164243887
• PubChem CID: 1773941

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.4680176
• LogD (pH = 7.4): 4.4680176
• Log P: 4.4680176
• Molar Refractivity: 119.1035 cm^3
• Polarizability: 42.422047 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds