CAS 172167-23-6

4-[(3-Methylphenyl)methoxy]benzonitrile

Description:

4-[(3-Methylphenyl)methoxy]benzonitrile, identified by its CAS number 172167-23-6, is an organic compound characterized by its aromatic structure, which includes a benzonitrile moiety and a methoxy group attached to a phenyl ring. This compound features a nitrile functional group (-C≡N) that contributes to its chemical reactivity and potential applications in organic synthesis. The presence of the methoxy group enhances its solubility in organic solvents and may influence its electronic properties, making it a candidate for various chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, the 3-methylphenyl substituent can affect the compound's steric and electronic characteristics, potentially impacting its behavior in biological systems or as a ligand in coordination chemistry. Overall, this compound's unique structural features suggest potential utility in pharmaceuticals, agrochemicals, or materials science, although specific applications would depend on further research and development.

Formula: C₁₅H₁₃NO

InChI: InChI=1S/C15H13NO/c1-12-3-2-4-14(9-12)11-17-15-7-5-13(10-16)6-8-15/h2-9H,11H2,1H3

InChI key: InChIKey=ODUADHGQLFSWOS-UHFFFAOYSA-N

SMILES: O(CC1=CC(C)=CC=C1)C2=CC=C(C#N)C=C2

Synonyms:

• 4-((3-Methylbenzyl)oxy)benzonitrile
• 4-[(3-Methylphenyl)methoxy]benzonitrile
• Benzonitrile, 4-[(3-methylphenyl)methoxy]-

4-[(3-Methylphenyl)methoxy]benzonitrile

CAS: 172167-23-6

Versatile small molecule scaffold

Formula: C₁₅H₁₃NO

Purity: Min. 95%

Molecular weight: 223.27 g/mol

Ref: 3D-XGA16723