3-[(4-methoxyphenyl)methoxy]-1-methyl-6H-benzo[c]chromen-6-one

• ChemBase ID: 194308
• Molecular Formular: C22H18O4
• Molecular Mass: 346.37592
• Monoisotopic Mass: 346.12050906
• SMILES: c1(=O)oc2c(c3c1cccc3)c(cc(c2)OCc1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)COc1cc(C)c2c(c1)oc(=O)c1c2cccc1
• InChI: InChI=1S/C22H18O4/c1-14-11-17(25-13-15-7-9-16(24-2)10-8-15)12-20-21(14)18-5-3-4-6-19(18)22(23)26-20/h3-12H,13H2,1-2H3
• InChIKey: QPMJEJYNJALXCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-methoxyphenyl)methoxy]-1-methyl-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 3-[(4-methoxyphenyl)methoxy]-1-methylbenzo[c]chromen-6-one

Database IDs

• PubChem SID: 164250218
• PubChem CID: 2174344

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.8478794
• LogD (pH = 7.4): 4.8478794
• Log P: 4.8478794
• Molar Refractivity: 99.5193 cm^3
• Polarizability: 39.51446 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds