Cas no 89027-55-4 (Phenol, 4-(4-pentylbicyclo[2.2.2]oct-1-yl)-)

Phenol, 4-(4-pentylbicyclo[2.2.2]oct-1-yl)- structure
89027-55-4 structure
Product Name:Phenol, 4-(4-pentylbicyclo[2.2.2]oct-1-yl)-
CAS No:89027-55-4
MF:C19H28O
MW:272.425025939941
CID:615394
PubChem ID:21257800
Update Time:2025-04-19

Phenol, 4-(4-pentylbicyclo[2.2.2]oct-1-yl)- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 4-(4-pentylbicyclo[2.2.2]oct-1-yl)-
    • 4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenol
    • 4-(4-Pentyl-bicyclo[2.2.2]oct-1-yl)-phenol
    • DTXSID50611706
    • 4-(4-pentylbicyclo[2.2.2]octyl)phenol
    • SCHEMBL7019483
    • 4-(4-Pentylbicyclo[2.2.2]octan-1-yl)phenol
    • 89027-55-4
    • KWJMEZCXFGMQJU-UHFFFAOYSA-N
    • Inchi: 1S/C19H28O/c1-2-3-4-9-18-10-13-19(14-11-18,15-12-18)16-5-7-17(20)8-6-16/h5-8,20H,2-4,9-15H2,1H3
    • InChI Key: KWJMEZCXFGMQJU-UHFFFAOYSA-N
    • SMILES: OC1C=CC(=CC=1)C12CCC(CCCCC)(CC1)CC2

Computed Properties

  • Exact Mass: 272.214015512g/mol
  • Monoisotopic Mass: 272.214015512g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 289
  • 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: 7.2
  • Topological Polar Surface Area: 20.2?2
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