3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-4H-chromen-4-one

• ChemBase ID: 193697
• Molecular Formular: C24H20O5
• Molecular Mass: 388.4126
• Monoisotopic Mass: 388.13107374
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1ccc(cc1)OC)cc2)c1c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1)COc1ccc2c(c1)occ(c2=O)c1ccccc1OC
• InChI: InChI=1S/C24H20O5/c1-26-17-9-7-16(8-10-17)14-28-18-11-12-20-23(13-18)29-15-21(24(20)25)19-5-3-4-6-22(19)27-2/h3-13,15H,14H2,1-2H3
• InChIKey: MFRNQUFMSVXSOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-4H-chromen-4-one
• IUPAC Traditional name: 3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]chromen-4-one

Database IDs

• PubChem SID: 164249607
• PubChem CID: 1304764

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.589028
• LogD (pH = 7.4): 4.589028
• Log P: 4.589028
• Molar Refractivity: 109.7424 cm^3
• Polarizability: 42.40919 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