CAS 898774-90-8

1-Propanone, 1-(3-chloro-4-fluorophenyl)-3-(3-methoxyphenyl)-

Description:

1-Propanone, 1-(3-chloro-4-fluorophenyl)-3-(3-methoxyphenyl)-, identified by CAS number 898774-90-8, is an organic compound characterized by its ketone functional group, which is central to its structure. This compound features a propanone backbone with two distinct aromatic substituents: a 3-chloro-4-fluorophenyl group and a 3-methoxyphenyl group. The presence of halogen atoms, such as chlorine and fluorine, can influence its reactivity and physical properties, including solubility and boiling point. The methoxy group contributes to the compound's electron-donating characteristics, potentially affecting its chemical behavior and interactions. Typically, compounds of this nature are studied for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The specific arrangement of substituents can also impact the compound's biological activity, making it of interest in medicinal chemistry. Overall, this compound exemplifies the complexity and diversity of organic molecules, particularly those containing functional groups that can significantly alter their properties and applications.

Formula: C₁₆H₁₄ClFO₂

InChI: InChI=1S/C16H14ClFO2/c1-20-13-4-2-3-11(9-13)5-8-16(19)12-6-7-15(18)14(17)10-12/h2-4,6-7,9-10H,5,8H2,1H3

InChI key: InChIKey=OKTZJVRHYPGSGE-UHFFFAOYSA-N

SMILES: C(CCC1=CC(OC)=CC=C1)(=O)C2=CC(Cl)=C(F)C=C2

Synonyms:

• 1-(3-Chloro-4-fluorophenyl)-3-(3-methoxyphenyl)-1-propanone
• 1-Propanone, 1-(3-chloro-4-fluorophenyl)-3-(3-methoxyphenyl)-
• 3′-Chloro-4′-fluoro-3-(3-methoxyphenyl)-propiophenone