7-[(2,5-dimethylphenyl)methoxy]-3-(2-methoxyphenyl)-4H-chromen-4-one

• ChemBase ID: 193578
• Molecular Formular: C25H22O4
• Molecular Mass: 386.43978
• Monoisotopic Mass: 386.15180918
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1c(ccc(c1)C)C)cc2)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1coc2c(c1=O)ccc(c2)OCc1cc(C)ccc1C
• InChI: InChI=1S/C25H22O4/c1-16-8-9-17(2)18(12-16)14-28-19-10-11-21-24(13-19)29-15-22(25(21)26)20-6-4-5-7-23(20)27-3/h4-13,15H,14H2,1-3H3
• InChIKey: GMQNRONXCHLPAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2,5-dimethylphenyl)methoxy]-3-(2-methoxyphenyl)-4H-chromen-4-one
• IUPAC Traditional name: 7-[(2,5-dimethylphenyl)methoxy]-3-(2-methoxyphenyl)chromen-4-one

Database IDs

• PubChem SID: 164249488
• PubChem CID: 1606536

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.773542
• LogD (pH = 7.4): 5.773542
• Log P: 5.773542
• Molar Refractivity: 113.3616 cm^3
• Polarizability: 43.429714 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds