CAS 1221-99-4
:2-(1H-indol-3-ylmethyl)benzoic acid
Description:
2-(1H-indol-3-ylmethyl)benzoic acid, also known by its CAS number 1221-99-4, is an organic compound characterized by the presence of both an indole and a benzoic acid moiety. This compound features a benzoic acid group attached to a methylene bridge that connects to an indole ring, which contributes to its unique chemical properties. It typically appears as a solid at room temperature and is soluble in organic solvents, though its solubility in water may be limited. The presence of the carboxylic acid functional group imparts acidic characteristics, allowing it to participate in various chemical reactions, such as esterification and amidation. Additionally, the indole structure can engage in π-π stacking interactions and hydrogen bonding, which may influence its biological activity and potential applications in pharmaceuticals. This compound is of interest in medicinal chemistry due to its potential therapeutic properties, including anti-inflammatory and anticancer activities, although specific biological effects would depend on further research and context.
Formula:C16H13NO2
InChI:InChI=1/C16H13NO2/c18-16(19)14-7-2-1-5-11(14)9-12-10-17-15-8-4-3-6-13(12)15/h1-8,10,17H,9H2,(H,18,19)
SMILES:c1ccc(c(c1)Cc1c[nH]c2ccccc12)C(=O)O
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