Cas no 62787-21-7 (Benzene, 1,3-bis(1,1-dimethylethyl)-5-phenoxy-)

Benzene, 1,3-bis(1,1-dimethylethyl)-5-phenoxy- structure
62787-21-7 structure
Product Name:Benzene, 1,3-bis(1,1-dimethylethyl)-5-phenoxy-
CAS No:62787-21-7
MF:C20H26O
MW:282.419846057892
CID:431276
PubChem ID:13543502
Update Time:2025-04-19

Benzene, 1,3-bis(1,1-dimethylethyl)-5-phenoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,3-bis(1,1-dimethylethyl)-5-phenoxy-
    • 1,3-ditert-butyl-5-phenoxybenzene
    • 62787-21-7
    • DTXSID20543343
    • 1,3-Di-tert-butyl-5-phenoxybenzene
    • Inchi: 1S/C20H26O/c1-19(2,3)15-12-16(20(4,5)6)14-18(13-15)21-17-10-8-7-9-11-17/h7-14H,1-6H3
    • InChI Key: HJAFLPXRXOEWLW-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)C1C=C(C=C(C=1)C(C)(C)C)C(C)(C)C

Computed Properties

  • Exact Mass: 282.19848
  • Monoisotopic Mass: 282.198365449g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 292
  • 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: 6.8
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23
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