CAS 1240579-06-9

4,5-Dimethoxy-1-(phenylmethyl)-1H-indole-2-carboxylic acid

Description:

4,5-Dimethoxy-1-(phenylmethyl)-1H-indole-2-carboxylic acid is a synthetic organic compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This compound features two methoxy groups at the 4 and 5 positions of the indole ring, contributing to its unique chemical properties and potential biological activity. The presence of the phenylmethyl group enhances its lipophilicity, which may influence its interaction with biological targets. As a carboxylic acid, it possesses acidic properties, allowing it to participate in various chemical reactions, including esterification and amidation. The compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting neurological or psychological conditions, given the known effects of indole derivatives. However, specific biological activities, toxicity, and pharmacokinetics would require further investigation through experimental studies. Overall, this compound exemplifies the complexity and versatility of indole derivatives in organic chemistry and drug design.

Formula: C₁₈H₁₇NO₄

InChI: InChI=1S/C18H17NO4/c1-22-16-9-8-14-13(17(16)23-2)10-15(18(20)21)19(14)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,20,21)

InChI key: InChIKey=AHIAESRMRLXSOA-UHFFFAOYSA-N

SMILES: C(N1C=2C(=C(OC)C(OC)=CC2)C=C1C(O)=O)C3=CC=CC=C3

Synonyms:

• 1H-Indole-2-carboxylic acid, 4,5-dimethoxy-1-(phenylmethyl)-
• 4,5-Dimethoxy-1-(phenylmethyl)-1H-indole-2-carboxylic acid