7-[(4-methoxyphenyl)methoxy]-8-methyl-4-phenyl-2H-chromen-2-one

• ChemBase ID: 187993
• Molecular Formular: C24H20O4
• Molecular Mass: 372.4132
• Monoisotopic Mass: 372.13615912
• SMILES: c12c(c(cc(=O)o1)c1ccccc1)ccc(c2C)OCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)COc1ccc2c(c1C)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C24H20O4/c1-16-22(27-15-17-8-10-19(26-2)11-9-17)13-12-20-21(14-23(25)28-24(16)20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3
• InChIKey: SDZMCUYENKTNDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(4-methoxyphenyl)methoxy]-8-methyl-4-phenyl-2H-chromen-2-one
• IUPAC Traditional name: 7-[(4-methoxyphenyl)methoxy]-8-methyl-4-phenylchromen-2-one

Database IDs

• PubChem SID: 164243903
• PubChem CID: 978389

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.13911
• LogD (pH = 7.4): 5.13911
• Log P: 5.13911
• Molar Refractivity: 117.6815 cm^3
• Polarizability: 41.679543 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