Cas no 67988-31-2 (Phenol, 2,6-bis[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-)

Phenol, 2,6-bis[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]phenyl]methyl]- structure
67988-31-2 structure
Product Name:Phenol, 2,6-bis[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-
CAS No:67988-31-2
MF:C34H30O5
MW:518.599009990692
CID:393844
PubChem ID:71374697
Update Time:2025-04-19

Phenol, 2,6-bis[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]phenyl]methyl]- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2,6-bis[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]phenyl]methyl]-
    • 2-[[2-hydroxy-3-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(2-hydroxyphenyl)methyl]phenol
    • DTXSID80797466
    • 67988-31-2
    • 2,2'-{(2-Hydroxy-1,3-phenylene)bis[methylene(2-hydroxy-3,1-phenylene)methylene]}diphenol
    • Inchi： 1S/C34H30O5/c35-30-16-3-1-8-22(30)18-24-10-5-12-26(32(24)37)20-28-14-7-15-29(34(28)39)21-27-13-6-11-25(33(27)38)19-23-9-2-4-17-31(23)36/h1-17,35-39H,18-21H2
    • InChI Key： RAQFVTJMFRKDAL-UHFFFAOYSA-N
    • SMILES： OC1C(=CC=CC=1CC1C=CC=C(CC2C=CC=CC=2O)C=1O)CC1C=CC=C(CC2C=CC=CC=2O)C=1O

Computed Properties

  • Exact Mass: 518.2094
  • Monoisotopic Mass: 518.20932405g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 8
  • Complexity: 672
  • 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: 7.8
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • PSA: 101.15

Phenol, 2,6-bis[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]phenyl]methyl]- Related Literature

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