1-(5-Hydroxy-2,2-Dimethylchromen-6-Yl)-3-Phenylprop-2-En-1-One
[CAS# 31501-55-0]

Identification

• Name: 1-(5-Hydroxy-2,2-Dimethylchromen-6-Yl)-3-Phenylprop-2-En-1-One
• Synonyms: (E)-1-(5-Hydroxy-2,2-Dimethylchromen-6-Yl)-3-Phenylprop-2-En-1-One; (E)-1-(5-Hydroxy-2,2-Dimethyl-Chromen-6-Yl)-3-Phenyl-Prop-2-En-1-One; 1-(5-Hydroxy-2,2-Dimethyl-Chromen-6-Yl)-3-Phenyl-Prop-2-En-1-One
• Molecular Formula: C₂₀H₁₈O₃
• Molecular Weight: 306.36
• CAS Registry Number: 31501-55-0
• SMILES: C1=C(C(=C2C(=C1)OC(C=C2)(C)C)O)C(/C=C/C3=CC=CC=C3)=O
• InChI: 1S/C20H18O3/c1-20(2)13-12-16-18(23-20)11-9-15(19(16)22)17(21)10-8-14-6-4-3-5-7-14/h3-13,22H,1-2H3/b10-8+
• InChIKey: UEXPKLJRGIWQBF-CSKARUKUSA-N

Properties

• Density: 1.188g/cm³ (Cal.)
• Boiling point: 493.437°C at 760 mmHg (Cal.)
• Flash point: 177.817°C (Cal.)

References

• (1): Arnone A. NMR effects of acetylation and long-range coupling as a tool for structural elucidation of hydroxychromenes, Tetrahedron Letters, 1967