Cas no 21734-68-9 (Phenol, 2,6-bis[(4-hydroxyphenyl)methyl]-)

Phenol, 2,6-bis[(4-hydroxyphenyl)methyl]- structure
21734-68-9 structure
Product Name:Phenol, 2,6-bis[(4-hydroxyphenyl)methyl]-
CAS No:21734-68-9
MF:C20H18O3
MW:306.355125904083
CID:1403950
PubChem ID:54314177
Update Time:2025-04-20

Phenol, 2,6-bis[(4-hydroxyphenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2,6-bis[(4-hydroxyphenyl)methyl]-
    • SCHEMBL10495880
    • 21734-68-9
    • 2,6-Bis-(4-hydroxybenzyl)-phenol
    • Inchi: 1S/C20H18O3/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h1-11,21-23H,12-13H2
    • InChI Key: SMZKLKFOZBOMMF-UHFFFAOYSA-N
    • SMILES: OC1C(=CC=CC=1CC1C=CC(=CC=1)O)CC1C=CC(=CC=1)O

Computed Properties

  • Exact Mass: 306.12564
  • Monoisotopic Mass: 306.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 311
  • 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: 4.7
  • Topological Polar Surface Area: 60.7?2

Experimental Properties

  • PSA: 60.69
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