Synthesis, Spectroscopic Investigations (X-ray, NMR and TD-DFT), Antimicrobial Activity and Molecular Docking of 2,6-Bis(hydroxy(phenyl)methyl)cyclohexanone

Molecules

Assem Barakat¹  Hazem A. Ghabbour³  Abdullah Mohammed Al-Majid¹  Saied M. Soliman²  M. Ali¹  Yahia Nasser Mabkhot¹  Mohammed Rafi Shaik¹  Hoong-Kun Fun³ 

[1] Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh-11451, Saudi Arabia; E-Mails:;Department of Chemistry, Rabigh College of Science and Art, King Abdulaziz University, P. O. Box 344, Rabigh 21911, Saudi Arabia; E-Mail:;Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P. O. Box 2457, Riyadh 11451, Saudi Arabia; E-Mails:

关键词: Aldol product;    cyclohexanone;    X-ray;    TGA;    DFT;    antimicrobial activity;    molecular docking;   

DOI  :  10.3390/molecules200713240

来源: mdpi

【 摘 要 】

The synthesis of 2,6-bis(hydroxy(phenyl)methyl)cyclohexanone 1 is described. The molecular structure of the title compound 1 was confirmed by NMR, FT-IR, MS, CHN microanalysis, and X-ray crystallography. The molecular structure was also investigated by a set of computational studies and found to be in good agreement with the experimental data obtained from the various spectrophotometric techniques. The antimicrobial activity and molecular docking of the synthesized compound was investigated.

【 授权许可】

CC BY   
© 2015 by the authors; licensee MDPI, Basel, Switzerland.