5-[(3-methoxyphenyl)methoxy]-7-methyl-4-phenyl-2H-chromen-2-one

• ChemBase ID: 188238
• Molecular Formular: C24H20O4
• Molecular Mass: 372.4132
• Monoisotopic Mass: 372.13615912
• SMILES: c1(c2c(oc(=O)c1)cc(cc2OCc1cc(OC)ccc1)C)c1ccccc1
• Canonical SMILES: COc1cccc(c1)COc1cc(C)cc2c1c(cc(=O)o2)c1ccccc1
• InChI: InChI=1S/C24H20O4/c1-16-11-21(27-15-17-7-6-10-19(13-17)26-2)24-20(18-8-4-3-5-9-18)14-23(25)28-22(24)12-16/h3-14H,15H2,1-2H3
• InChIKey: YGLBBWDGFGDGRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244148
• PubChem CID: 1347545

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: 41.679333 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