3-[(3,4,5-trimethoxyphenyl)methoxy]-6H-benzo[c]chromen-6-one

• ChemBase ID: 188777
• Molecular Formular: C23H20O6
• Molecular Mass: 392.4013
• Monoisotopic Mass: 392.12598836
• SMILES: c1(=O)oc2c(c3c1cccc3)ccc(c2)OCc1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(COc2ccc3c(c2)oc(=O)c2c3cccc2)cc(c1OC)OC
• InChI: InChI=1S/C23H20O6/c1-25-20-10-14(11-21(26-2)22(20)27-3)13-28-15-8-9-17-16-6-4-5-7-18(16)23(24)29-19(17)12-15/h4-12H,13H2,1-3H3
• InChIKey: CTYGVPHXFAVHDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3,4,5-trimethoxyphenyl)methoxy]-6H-benzo[c]chromen-6-one
• IUPAC Traditional name: 3-[(3,4,5-trimethoxyphenyl)methoxy]benzo[c]chromen-6-one

Database IDs

• PubChem SID: 164244687
• PubChem CID: 1325199

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.0191154
• LogD (pH = 7.4): 4.0191154
• Log P: 4.0191154
• Molar Refractivity: 107.4045 cm^3
• Polarizability: 42.76552 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds