chempirical

3,3′,5,5′-Tetrakis(1,1-dimethylethyl)[1,1′-biphenyl]-2,2′-diol

C28H42O2CAS 6390-69-8410.64 g/mol

Open in Covalent MOL file
HOOH
Phenol

Properties

Molecular formula
C28H42O2
Molar mass
410.64 g/mol
Exact mass
410.3185 Da
Melting point
186–188 °C
logP
7.95Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
6390-69-8
SMILES
CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIKey
GDGDLBOVIAWEAD-UHFFFAOYSA-N
InChI
InChI=1S/C28H42O2/c1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(24(20)30)28(10,11)12/h13-16,29-30H,1-12H3

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Names and synonyms

19 names · show all
  • [1,1′-Biphenyl]-2,2′-diol, 3,3′,5,5′-tetrakis(1,1-dimethylethyl)-
  • Phenol 3,3′,5,5′-tetra-tert-butyl[1,1′-biphenyl]-2,2′-diol
  • 3,5,3′,5′-Tetra-tert-butyl-biphenyl-2,2′-diol
  • 2,2′-Biphenyldiol, 3,3′,5,5′-tetra-tert-butyl-
  • o,o′-Biphenol, 4,4′,6,6′-tetra-tert-butyl-
  • 3,3′,5,5′-Tetra-tert-butyl-2,2′-biphenyldiol
  • 2,2′-Dihydroxy-3,3′,5,5′-tetra-tert-butylbiphenyl
  • 3,3′,5,5′-Tetra-tert-butyl-2,2′-dihydroxybiphenyl
  • 4,4′,6,6′-Tetra-tert-butyl-2,2′-biphenol
  • 3,3′,5,5′-Tetra-tert-butyl-[1,1′-biphenyl]-2,2′-diol
  • 3,3′,5,5′-Tetrakis(1,1-dimethylethyl)-[1,1′-biphenyl]-2,2′-diol
  • NSC 122714
  • 2,2′-Dihydroxy-3,3′,5,5′-tetra-tert-butyl-1,1′-biphenyl
  • 3,3′,5,5′-Tetra-tert-butyl-2,2′-dihydroxy-1,1′-biphenyl
  • 3,3′,5,5′-Tetrakis(tert-butyl)biphenyl-2,2′-diol
  • 3,3′,5,5′-Tetra-tert-butyl-2,2′-bis(phenol)
  • 2,2′-Dihydroxy-3,3′,5,5′-tetra-tert-butyl-1,1′-diphenyl
  • 2,2′-Dihydroxy-3,3′,5,5′-tetra(t-butyl)biphenyl
  • 2,4-Ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)phenol

Work with 3,3′,5,5′-Tetrakis(1,1-dimethylethyl)[1,1′-biphenyl]-2,2′-diol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Tri-tert-butylphenol732-26-379 % similar 3,5-Di-tert-butylcatechol1020-31-168 % similar 2-Bromo-4,6-di-tert-butylphenol20834-61-163 % similar 3,5-Di-tert-butylsalicylaldehyde37942-07-758 % similar 3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzoic acid19715-19-654 % similar Butylated hydroxytoluene128-37-052 % similar 4-Bromo-2,6-di-tert-butylphenol1139-52-250 % similar 4,4′-Methylenebis[2,6-di-tert-butylphenol]118-82-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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