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

• ChemBase ID: 200550
• Molecular Formular: C24H20O4
• Molecular Mass: 372.4132
• Monoisotopic Mass: 372.13615912
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1c(C)cccc1)cc2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c(c1=O)ccc(c2)OCc1ccccc1C
• InChI: InChI=1S/C24H20O4/c1-16-5-3-4-6-18(16)14-27-20-11-12-21-23(13-20)28-15-22(24(21)25)17-7-9-19(26-2)10-8-17/h3-13,15H,14H2,1-2H3
• InChIKey: RGFHZRFOASBJKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256460
• PubChem CID: 1758152

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.2601204
• LogD (pH = 7.4): 5.2601204
• Log P: 5.2601204
• Molar Refractivity: 108.3204 cm^3
• Polarizability: 41.66212 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