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CAS 736136-32-6

:

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

Description:
Rel-(1R,2R)-2-[2-(2-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid, with CAS number 736136-32-6, is a chemical compound characterized by its cyclohexane backbone and a carboxylic acid functional group. This compound features a methoxyphenyl substituent, which contributes to its aromatic properties and may influence its biological activity. The stereochemistry indicated by the "rel-(1R,2R)" notation suggests specific spatial arrangements of the atoms, which can significantly affect the compound's reactivity and interactions with biological targets. The presence of the oxoethyl group indicates that it may participate in various chemical reactions, including esterification or acylation. Additionally, the carboxylic acid group can engage in hydrogen bonding, enhancing its solubility in polar solvents and potentially affecting its pharmacokinetic properties. Overall, this compound may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could interact with biological systems.
Formula:C16H20O4
InChI:InChI=1/C16H20O4/c1-20-15-9-5-4-8-13(15)14(17)10-11-6-2-3-7-12(11)16(18)19/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,18,19)/t11-,12-/m1/s1
InChI key:InChIKey=BFSKIJULWXKKEX-XXCBQWOANA-N
SMILES:C(C[C@H]1[C@@H](C(O)=O)CCCC1)(=O)C2=C(OC)C=CC=C2
Synonyms:
  • Cyclohexanecarboxylic acid, 2-[2-(2-methoxyphenyl)-2-oxoethyl]-, (1R,2R)-rel-
  • rel-(1R,2R)-2-[2-(2-Methoxyphenyl)-2-oxoethyl]cyclohexanecarboxylic acid
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