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CAS 898762-44-2

:

Ethyl 4-[3-(3-chlorophenyl)-1-oxopropyl]benzoate

Description:
Ethyl 4-[3-(3-chlorophenyl)-1-oxopropyl]benzoate, identified by its CAS number 898762-44-2, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a benzoate moiety linked to a propyl chain that includes a chlorophenyl substituent, contributing to its potential biological activity. The presence of the chlorine atom on the phenyl ring can influence the compound's lipophilicity and reactivity, making it of interest in medicinal chemistry and drug design. Ethyl 4-[3-(3-chlorophenyl)-1-oxopropyl]benzoate may exhibit various physical properties such as solubility in organic solvents and specific melting and boiling points, which are typical for esters. Its structure suggests potential applications in pharmaceuticals, particularly in the development of compounds with anti-inflammatory or analgesic properties. However, detailed studies on its pharmacokinetics, toxicity, and specific applications would be necessary to fully understand its characteristics and potential uses in various fields.
Formula:C18H17ClO3
InChI:InChI=1S/C18H17ClO3/c1-2-22-18(21)15-9-7-14(8-10-15)17(20)11-6-13-4-3-5-16(19)12-13/h3-5,7-10,12H,2,6,11H2,1H3
InChI key:InChIKey=LYGDBMYCNQTDLM-UHFFFAOYSA-N
SMILES:C(CCC1=CC(Cl)=CC=C1)(=O)C2=CC=C(C(OCC)=O)C=C2
Synonyms:
  • Benzoic acid, 4-[3-(3-chlorophenyl)-1-oxopropyl]-, ethyl ester
  • Ethyl 4-[3-(3-chlorophenyl)-1-oxopropyl]benzoate
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