CAS 832737-48-1

3-[(2,5-Dimethylphenoxy)methyl]benzoic acid

Description:

3-[(2,5-Dimethylphenoxy)methyl]benzoic acid, identified by its CAS number 832737-48-1, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety and a 2,5-dimethylphenoxy group. This compound features a carboxylic acid functional group (-COOH), contributing to its acidic properties and potential for hydrogen bonding. The presence of the dimethylphenoxy substituent enhances its hydrophobic characteristics, influencing its solubility and interaction with biological systems. Typically, compounds like this may exhibit moderate to high lipophilicity, affecting their bioavailability and pharmacokinetics if used in pharmaceutical applications. Additionally, the specific arrangement of substituents can impact the compound's reactivity, stability, and potential applications in various fields, including medicinal chemistry and materials science. Overall, the unique structural features of 3-[(2,5-Dimethylphenoxy)methyl]benzoic acid suggest it may possess interesting chemical properties and biological activities worthy of further investigation.

Formula: C₁₆H₁₆O₃

InChI: InChI=1S/C16H16O3/c1-11-6-7-12(2)15(8-11)19-10-13-4-3-5-14(9-13)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)

InChI key: InChIKey=ITFXKOJEFYEIJC-UHFFFAOYSA-N

SMILES: O(CC1=CC(C(O)=O)=CC=C1)C2=C(C)C=CC(C)=C2

Synonyms:

• Benzoic acid, 3-[(2,5-dimethylphenoxy)methyl]-
• 3-[(2,5-Dimethylphenoxy)methyl]benzoic acid