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CAS 736136-40-6

:

rel-(1R,2R)-2-[2-(3-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:
Rel-(1R,2R)-2-[2-(3-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its cyclohexane backbone, which is substituted at the 2-position with a carboxylic acid group and an oxoethyl group that features a 3-chlorophenyl moiety. This compound exhibits chirality, as indicated by the (1R,2R) configuration, which suggests specific spatial arrangements of its atoms that can influence its biological activity and interactions. The presence of the chlorophenyl group may impart unique electronic properties and enhance lipophilicity, potentially affecting its solubility and reactivity. The carboxylic acid functional group contributes to its acidity and can participate in hydrogen bonding, influencing its behavior in various chemical environments. This compound may be of interest in pharmaceutical research due to its structural features, which could be relevant for drug design and development. Its specific properties, such as melting point, boiling point, and solubility, would need to be determined experimentally or sourced from chemical databases for practical applications.
Formula:C15H17ClO3
InChI:InChI=1/C15H17ClO3/c16-12-6-3-5-11(8-12)14(17)9-10-4-1-2-7-13(10)15(18)19/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,18,19)/t10-,13-/m1/s1
InChI key:InChIKey=VUDOUWMBJSNIEY-RLQDDWLSNA-N
SMILES:C(C(=O)C1=CC(Cl)=CC=C1)[C@H]2[C@@H](C(O)=O)CCCC2
Synonyms:
  • rel-(1R,2R)-2-[2-(3-Chlorophenyl)-2-oxoethyl]cyclohexanecarboxylic acid
  • Cyclohexanecarboxylic acid, 2-[2-(3-chlorophenyl)-2-oxoethyl]-, (1R,2R)-rel-
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