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

• ChemBase ID: 187888
• Molecular Formular: C25H20O3
• Molecular Mass: 368.4245
• Monoisotopic Mass: 368.1412445
• SMILES: c12c(c(cc(=O)o1)c1ccccc1)ccc(c2C)OCc1ccc(C=C)cc1
• Canonical SMILES: C=Cc1ccc(cc1)COc1ccc2c(c1C)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C25H20O3/c1-3-18-9-11-19(12-10-18)16-27-23-14-13-21-22(20-7-5-4-6-8-20)15-24(26)28-25(21)17(23)2/h3-15H,1,16H2,2H3
• InChIKey: XAHHVGDTUZNDKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164243798
• PubChem CID: 1773220

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.0334835
• LogD (pH = 7.4): 6.0334835
• Log P: 6.0334835
• Molar Refractivity: 120.9046 cm^3
• Polarizability: 42.708946 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds