8-methyl-4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-chromen-2-one

• ChemBase ID: 189325
• Molecular Formular: C23H26O6
• Molecular Mass: 398.44894
• Monoisotopic Mass: 398.17293855
• SMILES: c12c(c(cc(=O)o1)CCC)ccc(c2C)OCc1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: CCCc1cc(=O)oc2c1ccc(c2C)OCc1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C23H26O6/c1-6-7-16-12-21(24)29-22-14(2)18(9-8-17(16)22)28-13-15-10-19(25-3)23(27-5)20(11-15)26-4/h8-12H,6-7,13H2,1-5H3
• InChIKey: ZNFKHNYFLZUXDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]-2H-chromen-2-one
• IUPAC Traditional name: 8-methyl-4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one

Database IDs

• PubChem SID: 164245235
• PubChem CID: 1325597

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.579101
• LogD (pH = 7.4): 4.579101
• Log P: 4.579101
• Molar Refractivity: 110.5392 cm^3
• Polarizability: 42.65648 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds