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Molecules 2015, 20(7), 13240-13263; doi:10.3390/molecules200713240

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

1
Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh-11451, Saudi Arabia
2
Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, P. O. Box 2457, Riyadh 11451, Saudi Arabia
3
Department of Chemistry, Rabigh College of Science and Art, King Abdulaziz University, P. O. Box 344, Rabigh 21911, Saudi Arabia
4
Department of Chemistry, Faculty of Science, Alexandria University, P. O. Box 426, Ibrahimia, Alexandria 21321, Egypt
5
Crystallography Unit, School of Physics, Universiti Sains Malaysia, Penang 11800, Malaysia
These authors contributed equally to this work.
*
Author to whom correspondence should be addressed.
Academic Editor: Jean Jacques Vanden Eynde
Received: 11 May 2015 / Revised: 11 July 2015 / Accepted: 13 July 2015 / Published: 21 July 2015
(This article belongs to the Section Organic Synthesis)
View Full-Text   |   Download PDF [2323 KB, uploaded 21 July 2015]   |  

Abstract

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. View Full-Text
Keywords: Aldol product; cyclohexanone; X-ray; TGA; DFT; antimicrobial activity; molecular docking Aldol product; cyclohexanone; X-ray; TGA; DFT; antimicrobial activity; molecular docking
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Barakat, A.; Ghabbour, H.A.; Al-Majid, A.M.; Soliman, S.M.; Ali, M.; Mabkhot, Y.N.; Shaik, M.R.; Fun, H.-K. Synthesis, Spectroscopic Investigations (X-ray, NMR and TD-DFT), Antimicrobial Activity and Molecular Docking of 2,6-Bis(hydroxy(phenyl)methyl)cyclohexanone. Molecules 2015, 20, 13240-13263.

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