Investigation on Chemical, Physical and Biological Assets of a Pioneering biomolecule: (2e)-3-(4-Hydroxy-3-Ethoxyphenyl)-1-(4-Hydroxyphenyl) Prop-2-En-1-One

Abstract

A chalcone derivative, (2E)-3-(4-hydroxy-3-ethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (HEHP), C17 H16 O4, has been synthesized from the mixture of 4-hydroxyacetophenone (0.05mol) and 4-hydroxy-3-ethoxybenzaldehyde (0.05mol) and by following Claisen-Schmidt reaction mechanism. Three-dimensional molecular structure, orthorhombic crystal system, and Pbca space group for the title compound were elucidated via single crystal XRD spectral study. The appearance of the vibration and absorptions for functional groups were identified using the FT-IR spectrum. 1H and 13CNMR spectra were recorded to recognize the number of unique protons and carbon environments and the best estimation of functionality based on shielding/ deshielding effects. The UV-Visible spectral study gives assistance to appreciate the absorbance and transmittance capabilities of the title molecule while Photoluminescence (PL) spectrum of the compound indicates the blue light emission in the visible region. Information regarding the endothermic and exothermic processes correlated with the sample was obtained from TG/DTA thermal analysis and the material was found to be stable up to 216°C. Mechanical properties such as the Hardness (HV), Meyer's index (n), Newtonian resistance pressure (W), load independent constant (b) and elastic stiffness constant (Cij) were calculated by performing a Vickers hardness test on the compound and they demonstrate excellent mechanical power. The as-synthesized molecule has been screened for its antibacterial, antifungal, and antioxidant activities and observed to exhibit promising activity against various microorganisms