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

• ChemBase ID: 189794
• Molecular Formular: C24H20O4
• Molecular Mass: 372.4132
• Monoisotopic Mass: 372.13615912
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1ccc(cc1)C)cc2)Oc1cc(ccc1)C
• Canonical SMILES: Cc1ccc(cc1)COc1ccc2c(c1)occ(c2=O)Oc1cccc(c1)C
• InChI: InChI=1S/C24H20O4/c1-16-6-8-18(9-7-16)14-26-19-10-11-21-22(13-19)27-15-23(24(21)25)28-20-5-3-4-17(2)12-20/h3-13,15H,14H2,1-2H3
• InChIKey: ZIOBDIXYKAEYDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164245704
• PubChem CID: 1039156

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.820153
• LogD (pH = 7.4): 5.820153
• Log P: 5.820153
• Molar Refractivity: 108.6736 cm^3
• Polarizability: 41.514465 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