structure of 3-[(2-Methylsulfonyl)phenoxy]benzoic acid

3-[(2-Methylsulfonyl)phenoxy]benzoic acid

CAS No.: 1000018-54-1
M. Wt: 292.30700
M. Fa: C14H12O5S
InChI Key: HVUNZPMPAVSYCQ-UHFFFAOYSA-N

Names and Identifiers of 1000018-54-1

CAS Number

1000018-54-1

MDL Number

MFCD09750920

IUPAC Name

3-(2-methylsulfonylphenoxy)benzoic acid

InChI

InChI=1S/C14H12O5S/c1-20(17,18)13-8-3-2-7-12(13)19-11-6-4-5-10(9-11)14(15)16/h2-9H,1H3,(H,15,16)

InChIKey

HVUNZPMPAVSYCQ-UHFFFAOYSA-N

Canonical SMILES

CS(=O)(=O)C1=CC=CC=C1OC2=CC=CC(=C2)C(=O)O

UNSPSC Code

12352100

Physical and chemical properties of 1000018-54-1

Exact Mass

292.04100

LogP

3.66140

Molecular Formula

C14H12O5S

Molecular Weight

292.30700

PSA

89.05000

Safety Information of 1000018-54-1

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000018-54-1

3-[(2-Methylsulfonyl)phenoxy]benzoic acid finds applications across various fields:

  • Chemistry: It serves as a reagent in organic synthesis, particularly in the formation of sulfonyl and acyl derivatives.
  • Biology: The compound is used in studies related to antimicrobial activity and inflammation.
  • Medicine: Its properties make it a candidate for drug development aimed at specific biological targets.
  • Agriculture: Similar compounds have been utilized in herbicide formulations, indicating potential agricultural applications.

Interaction Studies of 1000018-54-1

The interaction studies of 3-[(2-Methylsulfonyl)phenoxy]benzoic acid focus on its biochemical pathways and mechanisms of action. It has been noted for its role in inhibiting specific enzymes crucial for plant growth regulation, which could lead to applications in herbicide development. Additionally, studies have explored its interactions with proteins involved in inflammatory responses, highlighting its potential therapeutic benefits.

Biological Activity of 1000018-54-1

Research indicates that 3-[(2-Methylsulfonyl)phenoxy]benzoic acid exhibits significant biological activity. Its applications have been explored primarily in proteomics research, where it serves as a biochemical tool. The compound has been investigated for potential antimicrobial and anti-inflammatory properties, making it a candidate for further development in medicinal chemistry. Additionally, its interaction with various biological targets suggests potential therapeutic applications.