CAS 1142202-03-6

3-[(4-Cyanophenoxy)methyl]-4-methoxybenzoic acid

Description:

3-[(4-Cyanophenoxy)methyl]-4-methoxybenzoic acid is an organic compound characterized by its complex structure, which includes a benzoic acid moiety substituted with both a methoxy group and a cyanophenoxy group. The presence of the methoxy group enhances its lipophilicity, potentially influencing its solubility and reactivity in organic solvents. The cyanophenoxy group introduces a polar functional group, which may contribute to hydrogen bonding and affect the compound's overall polarity. This compound is likely to exhibit interesting chemical properties, such as the ability to participate in various chemical reactions, including esterification and nucleophilic substitutions. Its structure suggests potential applications in pharmaceuticals or as an intermediate in organic synthesis. Additionally, the presence of the cyanide group may impart specific electronic properties, making it useful in materials science or as a ligand in coordination chemistry. Overall, the unique combination of functional groups in this compound suggests a diverse range of potential applications in both research and industrial settings.

Formula: C₁₆H₁₃NO₄

InChI: InChI=1S/C16H13NO4/c1-20-15-7-4-12(16(18)19)8-13(15)10-21-14-5-2-11(9-17)3-6-14/h2-8H,10H2,1H3,(H,18,19)

InChI key: InChIKey=QNLJQKJEAYNAKS-UHFFFAOYSA-N

SMILES: C(OC1=CC=C(C#N)C=C1)C2=C(OC)C=CC(C(O)=O)=C2

Synonyms:

• 3-[(4-Cyanophenoxy)methyl]-4-methoxybenzoic acid
• Benzoic acid, 3-[(4-cyanophenoxy)methyl]-4-methoxy-