Cas no 23595-49-5 (4-pentyl-m-cresol)

4-pentyl-m-cresol structure
4-pentyl-m-cresol structure
Product Name:4-pentyl-m-cresol
CAS No:23595-49-5
MF:C12H18O
MW:178.270723819733
CID:912711
PubChem ID:19690206
Update Time:2025-04-19

4-pentyl-m-cresol Chemical and Physical Properties

Names and Identifiers

    • 4-pentyl-m-cresol
    • 3-methyl-4-pentylphenol
    • DTXSID10599218
    • Paraamylmetakresol
    • SCHEMBL3963871
    • 23595-49-5
    • Inchi: 1S/C12H18O/c1-3-4-5-6-11-7-8-12(13)9-10(11)2/h7-9,13H,3-6H2,1-2H3
    • InChI Key: WTSHXGXZNWHRQM-UHFFFAOYSA-N
    • SMILES: OC1C=CC(=C(C)C=1)CCCCC

Computed Properties

  • Exact Mass: 178.13584
  • 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: 133
  • 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: 4.6
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23
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