CAS 1171921-37-1

1-Methyl 2-(2-phenylethyl)-6-(phosphonooxy)benzoate

Description:

1-Methyl 2-(2-phenylethyl)-6-(phosphonooxy)benzoate is a chemical compound characterized by its complex structure, which includes a benzoate moiety substituted with a methyl group and a phosphonooxy group. The presence of the phenylethyl group contributes to its potential biological activity, possibly influencing its interaction with various biological targets. This compound may exhibit properties typical of esters, such as being relatively lipophilic, which can affect its solubility and permeability in biological systems. The phosphonooxy group suggests potential reactivity and involvement in biochemical pathways, possibly acting as a prodrug or influencing enzyme activity. Its molecular structure indicates that it may participate in hydrogen bonding and other intermolecular interactions, which could be relevant in pharmacological contexts. Overall, while specific applications and biological activities may vary, the unique combination of functional groups in this compound suggests potential utility in medicinal chemistry and related fields. Further studies would be necessary to elucidate its specific properties and applications.

Formula: C₁₆H₁₇O₆P

InChI: InChI=1S/C16H17O6P/c1-21-16(17)15-13(11-10-12-6-3-2-4-7-12)8-5-9-14(15)22-23(18,19)20/h2-9H,10-11H2,1H3,(H2,18,19,20)

InChI key: InChIKey=NENFLOJIKJGGLN-UHFFFAOYSA-N

SMILES: O(P(=O)(O)O)C1=C(C(OC)=O)C(CCC2=CC=CC=C2)=CC=C1

Synonyms:

• Benzoic acid, 2-(2-phenylethyl)-6-(phosphonooxy)-, 1-methyl ester
• 1-Methyl 2-(2-phenylethyl)-6-(phosphonooxy)benzoate