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

• ChemBase ID: 201617
• Molecular Formular: C26H24O6
• Molecular Mass: 432.46516
• Monoisotopic Mass: 432.15728849
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1cc(OC)ccc1)cc2)Oc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1Oc1c(C)oc2c(c1=O)ccc(c2)OCc1cccc(c1)OC
• InChI: InChI=1S/C26H24O6/c1-4-29-22-10-5-6-11-23(22)32-26-17(2)31-24-15-20(12-13-21(24)25(26)27)30-16-18-8-7-9-19(14-18)28-3/h5-15H,4,16H2,1-3H3
• InChIKey: LCQKPKPYTBMSKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257527
• PubChem CID: 1760589

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.0368485
• LogD (pH = 7.4): 5.0368485
• Log P: 5.0368485
• Molar Refractivity: 122.0853 cm^3
• Polarizability: 46.69965 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds