3-(4-methoxyphenoxy)-7-[(4-methylphenyl)methoxy]-4H-chromen-4-one

• ChemBase ID: 189682
• Molecular Formular: C24H20O5
• Molecular Mass: 388.4126
• Monoisotopic Mass: 388.13107374
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1ccc(cc1)C)cc2)Oc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1ccc(cc1)C
• InChI: InChI=1S/C24H20O5/c1-16-3-5-17(6-4-16)14-27-20-11-12-21-22(13-20)28-15-23(24(21)25)29-19-9-7-18(26-2)8-10-19/h3-13,15H,14H2,1-2H3
• InChIKey: FRBURVONQVOXLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenoxy)-7-[(4-methylphenyl)methoxy]-4H-chromen-4-one
• IUPAC Traditional name: 3-(4-methoxyphenoxy)-7-[(4-methylphenyl)methoxy]chromen-4-one

Database IDs

• PubChem SID: 164245592
• PubChem CID: 1180726

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.1490607
• LogD (pH = 7.4): 5.1490607
• Log P: 5.1490607
• Molar Refractivity: 110.0956 cm^3
• Polarizability: 42.260456 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds