(2E)-1-(4-Hydroxyphenyl)-3-(3,4,5-Trimethoxyphenyl)-2-Propen-1-One
[CAS# 108132-05-4]

Identification

• Name: (2E)-1-(4-Hydroxyphenyl)-3-(3,4,5-Trimethoxyphenyl)-2-Propen-1-One
• Synonyms: (E)-1-(4-Hydroxy-phenyl)-3-(3,4,5-trimethoxy-phenyl)-propenone; 1-(4-Hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one; trans-4'-Hydroxy-3,4,5-trimethoxychalcone
• Molecular Formula: C₁₈H₁₈O₅
• Molecular Weight: 314.33
• CAS Registry Number: 108132-05-4
• SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC=C(C=C2)O
• InChI: 1S/C18H18O5/c1-21-16-10-12(11-17(22-2)18(16)23-3)4-9-15(20)13-5-7-14(19)8-6-13/h4-11,19H,1-3H3/b9-4+
• InChIKey: UTPDEDVSUZRNQN-RUDMXATFSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 511.1±50.0°C at 760 mmHg (Cal.)
• Flash point: 185.5±23.6°C (Cal.)
• Refractive index: 1.6 (Cal.)

References

• (1): W. T. A. Harrison, V. Kumari, H. J. Ravindra and S. M. Dharmaprakash. 1-(4-Hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, Acta Cryst. (2007). E63, o2928