Organic Chemistry International

Research Article

Environmentally Benign Mortar-Pestle-Induced Acylation and O-Alkylation of Aromatic and Heteroaromatic Compounds under Solvent-Free Micellar Conditions and Computation of Their Drug Likeliness Properties

Table 6

Molinspiration calculations of compounds.
S. number6-Acyl-1-halo-2-methoxynaphthaleneM.WtmiLog  TPSAOH–NH -VioVolume
11-(1-Bromo-2-methoxynaphthalen-6-yl)ethanone279.13
3.78926.305020
21-(1-Bromo-2-methoxynaphthalen-6-yl)pentan-1-one321.215.356
26.305
021
31-(1-Bromo-2-methoxynaphthalen-6-yl)hexan-1-one335.245.861
26.305
021
41-(1-Bromo-2-methoxynaphthalen-6-yl)-4-methylpentan-1-one335.245.337
26.305021
51-(1-Bromo-2-methoxynaphthalen-6-yl)-5-methylhexan-1-one349.26
5.84226.305021
61-(1-Bromo-2-methoxynaphthalen-6-yl)-3,3-dimethylbutan-1-one335.245.38626.305
021
71-(1-Bromo-2-methoxynaphthalen-6-yl)-2-phenylethanone355.23
5.21726.305021
81-(1-Chloro-2-methoxynaphthalen-6-yl)ethanone234.683.658
26.305
020
91-(1-Chloro-2-methoxynaphthalen-6-yl)pentan-1-one276.765.22526.305021
101-(1-Chloro-2-methoxynaphthalen-6-yl)hexan-1-one290.79
5.73
26.305
021
111-(1-Chloro-2-methoxynaphthalen-6-yl)-4-methylpentan-1-one290.79
5.206
26.305021
121-(1-Chloro-2-methoxynaphthalen-6-yl)-5-methylhexan-1-one304.81
5.71126.305021
131-(1-Chloro-2-methoxynaphthalen-6-yl)-3,3-dimethylbutan-1-one290.795.25526.305021
141-(1-Chloro-2-methoxynaphthalen-6-yl)-2-phenylethanone310.785.08626.305021
STDNaproxen264.703.98346.533130