Cas no 84658-56-0 ( )

  structure
  structure
Product Name: 
CAS No:84658-56-0
MF:C12H18O
MW:178.270723819733
CID:989565
PubChem ID:142104
Update Time:2025-04-20

  Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-2-phenylpentan-1-ol
    • 1-Pentanol, 3-methyl-2-phenyl-,
    • 1-Pentanol, 3-methyl-2-phenyl-
    • 36748-84-2
    • SCHEMBL13909501
    • NSC-165632
    • NSC165632
    • DTXSID80957967
    • AKOS009358342
    • 84658-56-0
    • BETA-(SEC-BUTYL)-PHENETHYL ALCOHOL
    •  
    • Inchi: 1S/C12H18O/c1-3-10(2)12(9-13)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3
    • InChI Key: BPCBJIKKAINGQY-UHFFFAOYSA-N
    • SMILES: OCC(C1C=CC=CC=1)C(C)CC

Computed Properties

  • Exact Mass: 178.135765193g/mol
  • Monoisotopic Mass: 178.135765193g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 127
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.2
  • Topological Polar Surface Area: 20.2?2
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