Cas no 66500-40-1 (4-(benzyloxy)cyclohexanecarboxylic acid)

4-(Benzyloxy)cyclohexanecarboxylic acid is a cyclohexane derivative featuring a benzyloxy substituent at the 4-position and a carboxylic acid functional group. This compound is valued for its versatility as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The benzyloxy group enhances solubility in organic solvents, facilitating further derivatization, while the carboxylic acid moiety allows for straightforward functionalization via esterification, amidation, or other coupling reactions. Its stable cyclohexane backbone contributes to structural rigidity, making it useful in designing conformationally constrained molecules. The compound is typically supplied in high purity, ensuring reproducibility in synthetic applications.
4-(benzyloxy)cyclohexanecarboxylic acid structure
66500-40-1 structure
Product Name:4-(benzyloxy)cyclohexanecarboxylic acid
CAS No:66500-40-1
MF:C14H18O3
MW:234.290924549103
MDL:MFCD18909176
CID:2123727
PubChem ID:19804848
Update Time:2025-05-28

4-(benzyloxy)cyclohexanecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-(benzyloxy)cyclohexanecarboxylic acid
    • 4-phenylmethoxycyclohexane-1-carboxylic acid
    • XH0780
    • 4-benzyloxy-cyclohexanecarboxylic acid
    • 4-benzyloxycyclohexane-1-carboxylic acid
    • Trans-4-(benzyloxy)cyclohexane-1-carboxylic acid
    • 4-(benzyloxy)cyclohexane-1-carboxylic acid
    • AT33094
    • CS-0434024
    • MFCD18909176
    • SCHEMBL19515095
    • DB-339822
    • SCHEMBL2278661
    • Cyclohexanecarboxylic acid, 4-(phenylmethoxy)-
    • DB-210662
    • trans-4-(Benzyloxy)cyclohexanecarboxylic acid
    • CIHKUOPEMAFMJE-UHFFFAOYSA-N
    • Trans-4-(phenylmethoxy)cyclohexanecarboxylic acid
    • BS-44876
    • Trans-4-(benzyloxy)cyclohexane-1-carboxylicacid
    • AS-42545
    • 66500-40-1
    • AKOS023764723
    • 1558003-77-2
    • CS-0454731
    • (1r,4r)-4-(benzyloxy)cyclohexane-1-carboxylic acid
    • SY344549
    • MFCD31640824
    • MDL: MFCD18909176
    • Inchi: 1S/C14H18O3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,16)
    • InChI Key: CIHKUOPEMAFMJE-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1CCC(C(=O)O)CC1

Computed Properties

  • Exact Mass: 234.125594432Da
  • Monoisotopic Mass: 234.125594432Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 238
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 46.5?2

4-(benzyloxy)cyclohexanecarboxylic acid Pricemore >>

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