CAS 132296-20-9

5-(1,1-Dimethylhexyl)-2-[(1S,3R)-3-hydroxycyclohexyl]phenol

Description:

5-(1,1-Dimethylhexyl)-2-[(1S,3R)-3-hydroxycyclohexyl]phenol, commonly known as a type of phenolic compound, is characterized by its complex molecular structure that includes a phenol ring substituted with a bulky alkyl group and a cyclohexanol moiety. This compound is notable for its potential applications in various fields, including as an antioxidant or stabilizer in polymers and other materials. Its structure suggests that it may exhibit hydrophobic properties due to the presence of the dimethylhexyl group, while the hydroxyl group can engage in hydrogen bonding, influencing its solubility and reactivity. The stereochemistry indicated by the (1S,3R) configuration suggests specific spatial arrangements that can affect the compound's biological activity and interactions. Additionally, the presence of multiple functional groups may contribute to its reactivity and potential applications in organic synthesis or as a pharmaceutical intermediate. Overall, this compound exemplifies the diversity of phenolic substances and their relevance in both industrial and research contexts.

Formula: C₂₀H₃₂O₂

InChI: InChI=1S/C20H32O2/c1-4-5-6-12-20(2,3)16-10-11-18(19(22)14-16)15-8-7-9-17(21)13-15/h10-11,14-15,17,21-22H,4-9,12-13H2,1-3H3/t15-,17+/m0/s1

InChI key: InChIKey=KQUGQXNYBWYGAI-DOTOQJQBSA-N

SMILES: OC1=C([C@@H]2C[C@H](O)CCC2)C=CC(C(CCCCC)(C)C)=C1

Synonyms:

• Phenol, 5-(1,1-dimethylhexyl)-2-[(1S,3R)-3-hydroxycyclohexyl]-
• 5-(1,1-Dimethylhexyl)-2-[(1S,3R)-3-hydroxycyclohexyl]phenol
• Phenol, 5-(1,1-dimethylhexyl)-2-(3-hydroxycyclohexyl)-, (1S-cis)-

Phenol, 5-(1,1-dimethylhexyl)-2-[(1S,3R)-3-hydroxycyclohexyl]-

CAS: 132296-20-9

Formula: C₂₀H₃₂O₂

Molecular weight: 304.4669

Ref: IN-DA0010HO