CAS 763109-44-0

5-[4-(2-Methylpropyl)phenyl]-3-isoxazolemethanol

Description:

5-[4-(2-Methylpropyl)phenyl]-3-isoxazolemethanol, identified by its CAS number 763109-44-0, is a chemical compound that features a unique isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This compound is characterized by the presence of a phenyl group substituted with a branched alkyl chain (2-methylpropyl), contributing to its hydrophobic properties. The hydroxymethyl group attached to the isoxazole ring enhances its potential for hydrogen bonding, which may influence its solubility and reactivity. The compound's structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the isoxazole moiety's known biological activity. Additionally, the presence of the branched alkyl group may affect the compound's lipophilicity, impacting its pharmacokinetic properties. Overall, this compound's unique structural features make it a subject of interest for further research in various chemical and biological applications.

Formula: C₁₄H₁₇NO₂

InChI: InChI=1S/C14H17NO2/c1-10(2)7-11-3-5-12(6-4-11)14-8-13(9-16)15-17-14/h3-6,8,10,16H,7,9H2,1-2H3

InChI key: InChIKey=NJFWCDXRLPZZPQ-UHFFFAOYSA-N

SMILES: C(O)C=1C=C(ON1)C2=CC=C(CC(C)C)C=C2

Synonyms:

• 3-Isoxazolemethanol, 5-[4-(2-methylpropyl)phenyl]-
• 5-[4-(2-Methylpropyl)phenyl]-3-isoxazolemethanol