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

• ChemBase ID: 201838
• Molecular Formular: C25H22O3
• Molecular Mass: 370.44038
• Monoisotopic Mass: 370.15689456
• SMILES: c1(c(=O)c2c(oc1C)cc(OCc1c(ccc(c1)C)C)cc2)c1ccccc1
• Canonical SMILES: Cc1ccc(c(c1)COc1ccc2c(c1)oc(c(c2=O)c1ccccc1)C)C
• InChI: InChI=1S/C25H22O3/c1-16-9-10-17(2)20(13-16)15-27-21-11-12-22-23(14-21)28-18(3)24(25(22)26)19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
• InChIKey: XRUFXCNBTNMPCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257748
• PubChem CID: 1762324

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.1332855
• LogD (pH = 7.4): 6.1332855
• Log P: 6.1332855
• Molar Refractivity: 112.7175 cm^3
• Polarizability: 42.77318 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds