CAS 1000018-30-3

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

Description:

3-[4-(Methylsulfonyl)phenoxy]benzoic acid, identified by its CAS number 1000018-30-3, is an organic compound characterized by its aromatic structure and functional groups. It features a benzoic acid moiety, which contributes to its acidity and potential for forming salts or esters. The presence of a methylsulfonyl group enhances its solubility in polar solvents and may influence its biological activity. This compound is likely to exhibit moderate to high stability under standard conditions, although it may be sensitive to extreme pH levels or reactive agents. Its structure suggests potential applications in pharmaceuticals, particularly in the development of anti-inflammatory or analgesic agents, due to the benzoic acid framework. Additionally, the methylsulfonyl group may impart unique properties, such as improved metabolic stability or enhanced interaction with biological targets. Overall, 3-[4-(Methylsulfonyl)phenoxy]benzoic acid represents a versatile compound with potential utility in various chemical and medicinal applications.

Formula: C₁₄H₁₂O₅S

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)

InChI key: InChIKey=RGDRGEDGYDZTRP-UHFFFAOYSA-N

SMILES: O(C1=CC(C(O)=O)=CC=C1)C2=CC=C(S(C)(=O)=O)C=C2

Synonyms:

• Benzoic acid, 3-[4-(methylsulfonyl)phenoxy]-
• 3-[4-(Methylsulfonyl)phenoxy]benzoic acid