7-[(2-methylphenyl)methoxy]-3-phenyl-4H-chromen-4-one

• ChemBase ID: 198986
• Molecular Formular: C23H18O3
• Molecular Mass: 342.38722
• Monoisotopic Mass: 342.12559444
• SMILES: c1(c(=O)c2c(oc1)cc(OCc1c(C)cccc1)cc2)c1ccccc1
• Canonical SMILES: Cc1ccccc1COc1ccc2c(c1)occ(c2=O)c1ccccc1
• InChI: InChI=1S/C23H18O3/c1-16-7-5-6-10-18(16)14-25-19-11-12-20-22(13-19)26-15-21(23(20)24)17-8-3-2-4-9-17/h2-13,15H,14H2,1H3
• InChIKey: DWKSFAHQRKAKNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254896
• PubChem CID: 907940

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.4177914
• LogD (pH = 7.4): 5.4177914
• Log P: 5.4177914
• Molar Refractivity: 101.8572 cm^3
• Polarizability: 39.16239 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