CAS 876294-76-7

1-(4-Hydroxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

Description:

1-(4-Hydroxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid, identified by its CAS number 876294-76-7, is an organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features a hydroxyl group (-OH) attached to a phenyl group, contributing to its potential as a phenolic compound. The presence of two methyl groups at the 2 and 5 positions of the pyrrole ring enhances its hydrophobic characteristics and may influence its biological activity. The carboxylic acid functional group (-COOH) at the 3 position is significant for its acidity and potential reactivity, allowing for various chemical interactions. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its solubility, stability, and reactivity can vary based on environmental conditions such as pH and temperature, which are critical for applications in research and development. Overall, this compound's unique structure and functional groups suggest potential utility in various chemical and biological applications.

Formula: C₁₃H₁₃NO₃

InChI: InChI=1S/C13H13NO3/c1-8-7-12(13(16)17)9(2)14(8)10-3-5-11(15)6-4-10/h3-7,15H,1-2H3,(H,16,17)

InChI key: InChIKey=ODBKIBCZAKZZCT-UHFFFAOYSA-N

SMILES: CC=1N(C(C)=CC1C(O)=O)C2=CC=C(O)C=C2

Synonyms:

• 1H-Pyrrole-3-carboxylic acid, 1-(4-hydroxyphenyl)-2,5-dimethyl-
• 1-(4-Hydroxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid