structure of 3-chloro-4-[(3-chlorophenyl)methoxy]benzoic Acid

3-chloro-4-[(3-chlorophenyl)methoxy]benzoic Acid

CAS No.: 1002970-32-2
M. Wt: 297.13300
M. Fa: C14H10Cl2O3
InChI Key: YZOMEFGASCKZMH-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 1002970-32-2

CAS Number

1002970-32-2

IUPAC Name

3-chloro-4-[(3-chlorophenyl)methoxy]benzoic acid

InChI

InChI=1S/C14H10Cl2O3/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7H,8H2,(H,17,18)

InChIKey

YZOMEFGASCKZMH-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=CC(=C1)Cl)COC2=C(C=C(C=C2)C(=O)O)Cl

Physical and chemical properties of 1002970-32-2

Exact Mass

296.00100

LogP

4.27060

Molecular Formula

C14H10Cl2O3

Molecular Weight

297.13300

PSA

46.53000

Applications of 1002970-32-2

This compound has several applications across different fields:

  • Chemistry: Used as an intermediate in synthesizing more complex organic molecules.
  • Biology: Useful in studies involving enzyme inhibition and protein-ligand interactions.
  • Industry: Employed in producing specialty chemicals and materials, making it valuable in pharmaceutical and chemical manufacturing sectors.

Interaction Studies of 1002970-32-2

Interaction studies involving 3-chloro-4-[(3-chlorophenyl)methoxy]benzoic acid focus on its ability to bind with specific enzymes or proteins. These studies help elucidate its mechanism of action and potential therapeutic applications. Understanding these interactions is crucial for developing new drugs or biochemical tools that exploit this compound's properties.

Biological Activity of 1002970-32-2

The biological activity of 3-chloro-4-[(3-chlorophenyl)methoxy]benzoic acid has been explored in various studies. It is known to exhibit enzyme inhibition properties, potentially interacting with specific molecular targets to block their activity. This mechanism makes it a candidate for further research in pharmacological applications, particularly in the fields of enzyme inhibition and protein-ligand interactions.

Physical sample testing spectrum (NMR) of 1002970-32-2

Physical sample testing spectrum (NMR) of 1002970-32-2

Retrosynthesis analysis of 1002970-32-2

  • Route#1

    Cas:100-39-0
    Cas:3964-58-7
    Cas:1002970-32-2
  • Route#2

    Cas:100-44-7
    Cas:3964-58-7
    Cas:1002970-32-2