9-(4-Methoxyphenyl)-9H-xanthen-9-ol
[CAS# 94465-25-5]

Identification

• Name: 9-(4-Methoxyphenyl)-9H-xanthen-9-ol
• Synonyms: 9-(4-Methoxyphenyl)xanthen-9-ol; ZINC04026861
• Molecular Formula: C₂₀H₁₆O₃
• Molecular Weight: 304.34
• CAS Registry Number: 94465-25-5
• SMILES: COC1=CC=C(C=C1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O
• InChI: 1S/C20H16O3/c1-22-15-12-10-14(11-13-15)20(21)16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13,21H,1H3
• InChIKey: ZYACEJZTEMQQEU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 126°C (Expl.)
• Boiling point: 463.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 234.3±28.7°C (Cal.)

References

• (1): Ayesha Jacobs, Luigi R. Nassimbeni, Kanyisa L. Nohako, Gaelle Ramon and Jana H. Taljaard. Enclathration by a xanthenolhostvia solid–solid reactions: structures and kinetics, New J. Chem., 2009, 33, 1960.