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

• ChemBase ID: 198422
• Molecular Formular: C24H20O6
• Molecular Mass: 404.412
• Monoisotopic Mass: 404.12598836
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1cc(OC)ccc1)cc2)Oc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Oc1coc2c(c1=O)ccc(c2)OCc1cccc(c1)OC
• InChI: InChI=1S/C24H20O6/c1-26-17-6-8-18(9-7-17)30-23-15-29-22-13-20(10-11-21(22)24(23)25)28-14-16-4-3-5-19(12-16)27-2/h3-13,15H,14H2,1-2H3
• InChIKey: YSXDCZXXGCLHRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254332
• PubChem CID: 1802324

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.477968
• LogD (pH = 7.4): 4.477968
• Log P: 4.477968
• Molar Refractivity: 111.5176 cm^3
• Polarizability: 43.01692 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds