5,6,7-Trimethoxy-2-(4-Methoxyphenyl)-2,3-Dihydro-4H-Chromen-4-One
[CAS 31118-34-0]

Identification

• Name: 5,6,7-Trimethoxy-2-(4-Methoxyphenyl)-2,3-Dihydro-4H-Chromen-4-One
• Synonyms: flavanone, 5,6,7,4prime-tetramethoxy-; NSC-51170; AIDS016505
• Molecular Formula: C₁₉H₂₀O₆
• Molecular Weight: 344.36
• CAS Registry Number: 31118-34-0
• SMILES: COC1=CC=C(C=C1)C2CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC
• InChI: 1S/C19H20O6/c1-21-12-7-5-11(6-8-12)14-9-13(20)17-15(25-14)10-16(22-2)18(23-3)19(17)24-4/h5-8,10,14H,9H2,1-4H3
• InChIKey: AENXIAWIJGWYCP-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 524.5±50.0°C at 760 mmHg (Cal.)
• Flash point: 231.5±30.2°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370