structure of Methyl 3-chloro-4-ethylbenzoate

Methyl 3-chloro-4-ethylbenzoate

CAS No.: 1081551-72-5
M. Wt: 198.64600
M. Fa: C10H11ClO2
InChI Key: XWEXJELGUOETAS-UHFFFAOYSA-N

Names and Identifiers of Methyl 3-chloro-4-ethylbenzoate

CAS Number

1081551-72-5

IUPAC Name

methyl 3-chloro-4-ethylbenzoate

InChI

InChI=1S/C10H11ClO2/c1-3-7-4-5-8(6-9(7)11)10(12)13-2/h4-6H,3H2,1-2H3

InChIKey

XWEXJELGUOETAS-UHFFFAOYSA-N

Canonical SMILES

CCC1=C(C=C(C=C1)C(=O)OC)Cl

Physical and chemical properties of Methyl 3-chloro-4-ethylbenzoate

Exact Mass

198.04500

LogP

2.68900

Molecular Formula

C10H11ClO2

Molecular Weight

198.64600

PSA

26.30000

Applications of Methyl 3-chloro-4-ethylbenzoate

Methyl 3-chloro-4-ethylbenzoate finds applications across various fields:

  • Organic Synthesis: Used as an intermediate in the synthesis of more complex organic molecules.
  • Pharmaceuticals: Investigated for potential therapeutic properties and as a precursor for drug candidates.
  • Chemical Research: Utilized in studies involving enzyme-catalyzed reactions and biochemical assays.

Biological Activity of Methyl 3-chloro-4-ethylbenzoate

Methyl 3-chloro-4-ethylbenzoate has been studied for its biological activity, particularly its interaction with various enzymes and receptors. Similar compounds are known to participate in biochemical pathways that involve the degradation of food substances and energy production. The compound's mode of action is thought to involve its electrophilic nature, allowing it to interact with nucleophilic sites on biological molecules.