7-methoxy-2-methyl-3-phenyl-4H-chromen-4-one

• ChemBase ID: 215828
• Molecular Formular: C17H14O3
• Molecular Mass: 266.29126
• Monoisotopic Mass: 266.09429431
• SMILES: c1(c(=O)c2c(oc1C)cc(cc2)OC)c1ccccc1
• Canonical SMILES: COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C
• InChI: InChI=1S/C17H14O3/c1-11-16(12-6-4-3-5-7-12)17(18)14-9-8-13(19-2)10-15(14)20-11/h3-10H,1-2H3
• InChIKey: XRGWZIGGCNSFRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-2-methyl-3-phenyl-4H-chromen-4-one
• IUPAC Traditional name: 7-methoxy-2-methyl-3-phenylchromen-4-one
• Synonyms: 7-methoxy-2-methyl-3-phenyl-4H-chromen-4-one

Database IDs

• MDL Number: MFCD00597215
• PubChem SID: 164271738
• PubChem CID: 354368

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3819697
• LogD (pH = 7.4): 3.3819697
• Log P: 3.3819697
• Molar Refractivity: 78.0225 cm^3
• Polarizability: 29.627537 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): 3.285

Product Information

• Purity: 95%
• Classification: Genuine Natural Compounds