8-methoxy-3-[(2-methoxyphenyl)methoxy]-6H-benzo[c]chromen-6-one

• ChemBase ID: 189895
• Molecular Formular: C22H18O5
• Molecular Mass: 362.37532
• Monoisotopic Mass: 362.11542368
• SMILES: c1(=O)c2c(c3c(o1)cc(OCc1c(OC)cccc1)cc3)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1)OCc1ccccc1OC
• InChI: InChI=1S/C22H18O5/c1-24-15-7-9-17-18-10-8-16(12-21(18)27-22(23)19(17)11-15)26-13-14-5-3-4-6-20(14)25-2/h3-12H,13H2,1-2H3
• InChIKey: FSSIZKNGQRONSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-3-[(2-methoxyphenyl)methoxy]-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 8-methoxy-3-[(2-methoxyphenyl)methoxy]benzo[c]chromen-6-one

Database IDs

• PubChem SID: 164245805
• PubChem CID: 1325494

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: 40.249283 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