CAS 113457-31-1

4-[(2,4-Dichlorophenyl)methoxy]-3-methoxybenzoic acid

Description:

4-[(2,4-Dichlorophenyl)methoxy]-3-methoxybenzoic acid, identified by its CAS number 113457-31-1, is an organic compound characterized by its complex aromatic structure. It features a benzoic acid core substituted with methoxy groups and a dichlorophenyl moiety, contributing to its unique chemical properties. This compound is typically a solid at room temperature and is soluble in organic solvents, reflecting its hydrophobic nature due to the presence of multiple aromatic rings. The dichlorophenyl group enhances its biological activity, making it of interest in pharmaceutical research, particularly in the development of herbicides or other agrochemicals. The presence of multiple functional groups suggests potential for various chemical reactions, including esterification and nucleophilic substitutions. Its molecular structure indicates that it may exhibit specific interactions with biological targets, which could be explored for therapeutic applications. Overall, this compound exemplifies the complexity and versatility of substituted benzoic acids in organic chemistry.

Formula: C₁₅H₁₂Cl₂O₄

InChI: InChI=1S/C15H12Cl2O4/c1-20-14-6-9(15(18)19)3-5-13(14)21-8-10-2-4-11(16)7-12(10)17/h2-7H,8H2,1H3,(H,18,19)

InChI key: InChIKey=NVHDYMQROKRTPK-UHFFFAOYSA-N

SMILES: O(CC1=C(Cl)C=C(Cl)C=C1)C2=C(OC)C=C(C(O)=O)C=C2

Synonyms:

• Benzoic acid, 4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-
• 4-[(2,4-Dichlorophenyl)methoxy]-3-methoxybenzoic acid