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

• ChemBase ID: 201432
• Molecular Formular: C24H20O3
• Molecular Mass: 356.4138
• Monoisotopic Mass: 356.1412445
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1c(ccc(c1)C)C)cc2)c1ccccc1
• Canonical SMILES: Cc1ccc(c(c1)COc1ccc2c(c1)occ(c2=O)c1ccccc1)C
• InChI: InChI=1S/C24H20O3/c1-16-8-9-17(2)19(12-16)14-26-20-10-11-21-23(13-20)27-15-22(24(21)25)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3
• InChIKey: YVSDHMMYBCUDOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164257342
• PubChem CID: 1759909

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.931213
• LogD (pH = 7.4): 5.931213
• Log P: 5.931213
• Molar Refractivity: 106.8984 cm^3
• Polarizability: 40.928104 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