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CAS 125962-80-3

:

trans-4′-(4-Methylphenyl)[1,1′-bicyclohexyl]-4-one

Description:
Trans-4′-(4-Methylphenyl)[1,1′-bicyclohexyl]-4-one, identified by its CAS number 125962-80-3, is an organic compound characterized by its bicyclic structure and ketone functional group. This substance features a trans configuration, indicating that the substituents on the bicyclohexyl framework are positioned opposite each other, which can influence its physical and chemical properties, such as melting point and solubility. The presence of the 4-methylphenyl group contributes to its aromatic characteristics, potentially affecting its reactivity and interactions with other molecules. As a ketone, it may participate in various chemical reactions, including nucleophilic additions and reductions. The compound's unique structure may also impart specific biological activities, making it of interest in fields such as medicinal chemistry or materials science. However, detailed studies on its toxicity, environmental impact, and specific applications would be necessary to fully understand its characteristics and potential uses.
Formula:C19H26O
InChI:InChI=1/C19H26O/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18/h2-5,16-18H,6-13H2,1H3/t16-,17-
InChI key:InChIKey=KPISRXVEAOLMIF-QAQDUYKDNA-N
SMILES:CC1=CC=C([C@H]2CC[C@@H](CC2)[C@@H]3CCC(=O)CC3)C=C1
Synonyms:
  • 4'-(4-Methylphenyl)-1,1'-bi(cyclohexyl)-4-one
  • 4'-P-Tolylbi(Cyclohexan)-4-One
  • [1,1'-Bicyclohexyl]-4-One, 4'-(4-Methylphenyl)-
  • [1,1′-Bicyclohexyl]-4-one, 4′-(4-methylphenyl)-, trans-
  • trans-4′-(4-Methylphenyl)[1,1′-bicyclohexyl]-4-one
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