CAS 898790-45-9

3-[3-(3-Methylphenyl)-1-oxopropyl]benzonitrile

Description:

3-[3-(3-Methylphenyl)-1-oxopropyl]benzonitrile, with the CAS number 898790-45-9, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propyl chain with a ketone functional group. This compound features a phenyl ring substituted with a nitrile group, which contributes to its chemical reactivity and potential applications in organic synthesis. The presence of the 3-methylphenyl group enhances its hydrophobic characteristics, influencing its solubility and interaction with biological systems. Typically, compounds of this nature may exhibit properties such as moderate to high melting points and varying solubility in organic solvents, depending on their molecular interactions. Additionally, the presence of functional groups like the nitrile and ketone can impart specific reactivity, making it of interest in medicinal chemistry and material science. Overall, this compound's unique structure suggests potential utility in various chemical applications, including pharmaceuticals and agrochemicals, although specific biological activity would require further investigation.

Formula: C₁₇H₁₅NO

InChI: InChI=1/C17H15NO/c1-13-4-2-5-14(10-13)8-9-17(19)16-7-3-6-15(11-16)12-18/h2-7,10-11H,8-9H2,1H3

InChI key: InChIKey=RVRHWAFNFUTJMY-UHFFFAOYSA-N

SMILES: C(CCC1=CC(C)=CC=C1)(=O)C2=CC(C#N)=CC=C2

Synonyms:

• Benzonitrile, 3-[3-(3-methylphenyl)-1-oxopropyl]-
• 3-[3-(3-Methylphenyl)-1-oxopropyl]benzonitrile