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

• ChemBase ID: 190307
• Molecular Formular: C22H18O5
• Molecular Mass: 362.37532
• Monoisotopic Mass: 362.11542368
• SMILES: c1(=O)c2c(c3c(o1)cc(OCc1ccc(cc1)OC)cc3)ccc(c2)OC
• Canonical SMILES: COc1ccc(cc1)COc1ccc2c(c1)oc(=O)c1c2ccc(c1)OC
• InChI: InChI=1S/C22H18O5/c1-24-15-5-3-14(4-6-15)13-26-17-8-10-19-18-9-7-16(25-2)11-20(18)22(23)27-21(19)12-17/h3-12H,13H2,1-2H3
• InChIKey: GUKYSTYUQOGZLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-3-[(4-methoxyphenyl)methoxy]-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one

Database IDs

• PubChem SID: 164246217
• PubChem CID: 1347567

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.176787
• LogD (pH = 7.4): 4.176787
• Log P: 4.176787
• Molar Refractivity: 100.9413 cm^3
• Polarizability: 40.248966 Å^3
• Polar Surface Area: 53.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds