CAS 1094748-76-1

1-(5-Fluoro-2-methoxyphenyl)-1-hexanone

Description:

1-(5-Fluoro-2-methoxyphenyl)-1-hexanone, identified by its CAS number 1094748-76-1, is an organic compound characterized by its structure, which includes a hexanone moiety attached to a phenyl ring that is substituted with a fluorine atom and a methoxy group. This compound typically exhibits properties associated with ketones, such as being a liquid at room temperature with a distinct odor. The presence of the fluorine atom can enhance lipophilicity and influence the compound's reactivity and biological activity. The methoxy group contributes to the compound's overall polarity and can affect its solubility in various solvents. Additionally, the hexanone chain provides a hydrophobic character, which may play a role in its interactions with biological systems. This compound may be of interest in medicinal chemistry and material science due to its unique structural features, which could impart specific pharmacological properties or utility in synthetic applications. Safety data and handling precautions should be considered, as with any chemical substance.

Formula: C₁₃H₁₇FO₂

InChI: InChI=1S/C13H17FO2/c1-3-4-5-6-12(15)11-9-10(14)7-8-13(11)16-2/h7-9H,3-6H2,1-2H3

InChI key: InChIKey=PITTZRGDXFQDKO-UHFFFAOYSA-N

SMILES: C(CCCCC)(=O)C1=C(OC)C=CC(F)=C1

Synonyms:

• 1-(5-Fluoro-2-methoxyphenyl)-1-hexanone
• 1-Hexanone, 1-(5-fluoro-2-methoxyphenyl)-