CAS 842140-68-5

α-[4-(1,1-Dimethylethyl)phenyl]-3-methylbenzenemethanol

Description:

α-[4-(1,1-Dimethylethyl)phenyl]-3-methylbenzenemethanol, identified by its CAS number 842140-68-5, is an organic compound characterized by its complex structure, which includes a phenolic group and a tert-butyl substituent. This compound typically exhibits hydrophobic properties due to its bulky tert-butyl group, which can influence its solubility in various solvents. It is likely to have a relatively high boiling point and melting point compared to simpler phenolic compounds, owing to the steric hindrance introduced by the tert-butyl group. The presence of multiple aromatic rings suggests potential for π-π stacking interactions, which may affect its reactivity and stability. Additionally, the hydroxyl group (-OH) in its structure indicates that it can participate in hydrogen bonding, influencing its behavior in biological systems and its potential applications in pharmaceuticals or as an industrial chemical. Overall, this compound's unique structural features contribute to its distinct chemical and physical properties, making it of interest in various fields of research and application.

Formula: C₁₈H₂₂O

InChI: InChI=1S/C18H22O/c1-13-6-5-7-15(12-13)17(19)14-8-10-16(11-9-14)18(2,3)4/h5-12,17,19H,1-4H3

InChI key: InChIKey=WDIULMGINADYRO-UHFFFAOYSA-N

SMILES: C(O)(C1=CC(C)=CC=C1)C2=CC=C(C(C)(C)C)C=C2

Synonyms:

• α-[4-(1,1-Dimethylethyl)phenyl]-3-methylbenzenemethanol
• Benzenemethanol, α-[4-(1,1-dimethylethyl)phenyl]-3-methyl-
• (4-tert-Butylphenyl)-(3-methylphenyl)methanol