Cas no 65567-10-4 (1,3-Benzenediol, 2-(1,1-dimethylethyl)-)

1,3-Benzenediol, 2-(1,1-dimethylethyl)- structure
65567-10-4 structure
Product Name:1,3-Benzenediol, 2-(1,1-dimethylethyl)-
CAS No:65567-10-4
MF:C10H14O2
MW:166.216963291168
CID:398309
PubChem ID:19910514
Update Time:2025-04-19

1,3-Benzenediol, 2-(1,1-dimethylethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenediol, 2-(1,1-dimethylethyl)-
    • 2-tert-butylbenzene-1,3-diol
    • DTXSID10601229
    • FT-0748562
    • SCHEMBL419708
    • t-butyl resorcinol
    • 65567-10-4
    • Inchi: 1S/C10H14O2/c1-10(2,3)9-7(11)5-4-6-8(9)12/h4-6,11-12H,1-3H3
    • InChI Key: BAKOSPCCAAZZSP-UHFFFAOYSA-N
    • SMILES: OC1C=CC=C(C=1C(C)(C)C)O

Computed Properties

  • Exact Mass: 166.09942
  • Monoisotopic Mass: 166.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 138
  • 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: 2.9
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46
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