CAS 70978-40-4

1-(2-Hydroxy-5-methyl-3-nitrophenyl)-1-propanone

Description:

1-(2-Hydroxy-5-methyl-3-nitrophenyl)-1-propanone, with the CAS number 70978-40-4, is an organic compound characterized by its functional groups and structural features. It contains a propanone moiety, which is a ketone, and a phenolic group that includes a hydroxyl (-OH) group and a nitro (-NO2) substituent on the aromatic ring. The presence of the methyl group and the nitro group contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and materials science. This compound may exhibit properties such as solubility in organic solvents, and its reactivity can be influenced by the electron-withdrawing nature of the nitro group and the electron-donating nature of the hydroxyl group. Additionally, the compound's structure suggests potential for hydrogen bonding and interactions with other molecules, which can affect its behavior in biological systems or chemical reactions. Overall, its unique combination of functional groups makes it a subject of interest for further research and application development.

Formula: C₁₀H₁₁NO₄

InChI: InChI=1S/C10H11NO4/c1-3-9(12)7-4-6(2)5-8(10(7)13)11(14)15/h4-5,13H,3H2,1-2H3

InChI key: InChIKey=CBYZMXQAOPOQBI-UHFFFAOYSA-N

SMILES: C(CC)(=O)C1=C(O)C(N(=O)=O)=CC(C)=C1

Synonyms:

• 1-Propanone, 1-(2-hydroxy-5-methyl-3-nitrophenyl)-
• Propiophenone, 2′-hydroxy-5′-methyl-3′-nitro-
• 1-(2-Hydroxy-5-methyl-3-nitrophenyl)-1-propanone