structure of 3-[(4-Methylsulfonyl)phenoxy]benzoic acid

3-[(4-Methylsulfonyl)phenoxy]benzoic acid

CAS No.: 1000018-30-3
M. Wt: 292.30700
M. Fa: C14H12O5S
InChI Key: RGDRGEDGYDZTRP-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000018-30-3

CAS Number

1000018-30-3

MDL Number

MFCD09264550

IUPAC Name

3-(4-methylsulfonylphenoxy)benzoic acid

InChI

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

InChIKey

RGDRGEDGYDZTRP-UHFFFAOYSA-N

Canonical SMILES

CS(=O)(=O)C1=CC=C(OC2=CC=CC(C(=O)O)=C2)C=C1

UNSPSC Code

12352100

Physical and chemical properties of 1000018-30-3

Exact Mass

292.04100

LogP

3.66140

Melting Point

160～163℃

Molecular Formula

C14H12O5S

Molecular Weight

292.30700

PSA

89.05000

Safety Information of 1000018-30-3

Pictograms

Signal Word

 Warning

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

Applications of 1000018-30-3

3-[(4-Methylsulfonyl)phenoxy]benzoic acid finds applications primarily in:

  • Biochemical Research: Used as a biochemical tool in proteomics and other molecular biology applications.
  • Pharmaceutical Development: Investigated for its potential therapeutic effects, particularly in anti-inflammatory drugs.
  • Chemical Synthesis: Serves as an intermediate or building block in organic synthesis and pharmaceutical chemistry.

Biological Activity of 1000018-30-3

Research indicates that 3-[(4-Methylsulfonyl)phenoxy]benzoic acid exhibits various biological activities. It has been studied for its potential anti-inflammatory and analgesic properties, making it a candidate for therapeutic applications. Additionally, the compound has shown promise in inhibiting specific enzymes related to inflammatory pathways, although detailed mechanisms remain to be fully elucidated.