Cas no 953-69-5 (4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid)

4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid is a rigid, sterically constrained bicyclic compound featuring a phenyl substituent and a carboxylic acid functional group. Its unique bicyclo[2.2.2]octane scaffold imparts high structural stability and defined spatial orientation, making it valuable in medicinal chemistry for probing steric and conformational effects in drug design. The phenyl group enhances aromatic interactions, while the carboxylic acid moiety allows for further derivatization or coordination in metal-organic frameworks. This compound is particularly useful as a building block in synthesizing complex molecules, studying ligand-receptor interactions, or developing materials with tailored properties. Its well-defined geometry contributes to precise molecular recognition and controlled reactivity.
4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid structure
953-69-5 structure
Product Name:4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid
CAS No:953-69-5
MF:C15H18O2
MW:230.302224636078
MDL:MFCD22199976
CID:1036622
PubChem ID:12617778
Update Time:2025-06-07

4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid
    • 1-phenylbicyclo[2.2.2]octane-4-carboxylic acid
    • CS-0092262
    • DTXSID20504515
    • MFCD22199976
    • P19927
    • SCHEMBL2452042
    • 4-Phenylbicyclo[2.2.2]octane-1-carboxylicacid
    • SY324258
    • SQHNZAVLCQLHKE-UHFFFAOYSA-N
    • 953-69-5
    • Bicyclo[2.2.2]octane-1-carboxylic acid, 4-phenyl-
    • AS-79120
    • DB-367948
    • MDL： MFCD22199976
    • Inchi： 1S/C15H18O2/c16-13(17)15-9-6-14(7-10-15,8-11-15)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)
    • InChI Key： SQHNZAVLCQLHKE-UHFFFAOYSA-N
    • SMILES： OC(C12CCC(C3C=CC=CC=3)(CC1)CC2)=O

Computed Properties

  • Exact Mass: 230.130679813g/mol
  • Monoisotopic Mass: 230.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 290
  • 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: 3.6
  • Topological Polar Surface Area: 37.3?2

4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid Pricemore >>

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4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:953-69-5)4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid
Order Number:A1095445
Stock Status:in Stock
Quantity:10g/500mg
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 20:15
Price ($):3083.0/526.0

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953-69-5 (4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:953-69-5)4-Phenylbicyclo[2.2.2]octane-1-carboxylic acid
A1095445
Purity:99%/99%
Quantity:10g/500mg
Price ($):3083.0/526.0
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