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

• ChemBase ID: 188592
• Molecular Formular: C22H24O6
• Molecular Mass: 384.42236
• Monoisotopic Mass: 384.15728849
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OCc1cc(c(c(c1)OC)OC)OC)C)C
• Canonical SMILES: COc1cc(COc2ccc3c(c2C)oc(=O)c(c3C)C)cc(c1OC)OC
• InChI: InChI=1S/C22H24O6/c1-12-13(2)22(23)28-20-14(3)17(8-7-16(12)20)27-11-15-9-18(24-4)21(26-6)19(10-15)25-5/h7-10H,11H2,1-6H3
• InChIKey: UBSOQFDHTCDRFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244502
• PubChem CID: 1077298

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.085514
• LogD (pH = 7.4): 4.085514
• Log P: 4.085514
• Molar Refractivity: 105.6943 cm^3
• Polarizability: 40.81781 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