chempirical

Sf-6847

C18H22N2OCAS 10537-47-0282.39 g/mol

Open in Covalent MOL file
NNHO
AlkeneNitrilePhenol

Properties

Molecular formula
C18H22N2O
Molar mass
282.39 g/mol
Exact mass
282.1732 Da
Melting point
141–143 °C
logP
4.42Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
10537-47-0
SMILES
CC(C)(C)c1cc(C=C(C#N)C#N)cc(C(C)(C)C)c1O
InChIKey
MZOPWQKISXCCTP-UHFFFAOYSA-N
InChI
InChI=1S/C18H22N2O/c1-17(2,3)14-8-12(7-13(10-19)11-20)9-15(16(14)21)18(4,5)6/h7-9,21H,1-6H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • Propanedinitrile, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-
  • Malononitrile, (3,5-di-tert-butyl-4-hydroxybenzylidene)-
  • Propanedinitrile, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-
  • 2-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile
  • 3,5-Di-tert-Butyl-4-hydroxybenzylidenemalononitrile
  • 2,6-Di-tert-butyl-4-(2,2-dicyanovinyl)phenol
  • 3,5-Di-tert-Butyl-4-hydroxybenzylidenemalonitrile
  • Malonoben
  • SF 6847
  • GCP 5126
  • RG 50872
  • AG 17
  • Tyrphostin AG 17
  • NSC 242557
  • Tyrphostin 9
  • Tyrphostin A 9
  • 2-(3,5-Di-tert-butyl-4-hydroxybenzylidene)malononitrile
  • 2-(3,5-Di-tert-butyl-4-hydroxy-benzylidene)-malononitrile

Work with Sf-6847

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

(2E)-3-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-cyano-2-propenethioamide148741-30-463 % similar 3,5-Di-tert-butyl-4-hydroxybenzaldehyde1620-98-051 % similar 2,4,6-Tri-tert-butylphenol732-26-346 % similar Tyrphostin 23118409-57-745 % similar 4-Hydroxybenzylidenemalononitrile3785-90-845 % similar Butylated hydroxytoluene128-37-044 % similar 4-Bromo-2,6-di-tert-butylphenol1139-52-243 % similar 4,4′-Methylenebis[2,6-di-tert-butylphenol]118-82-143 % similar

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

Same formula

Nlg9191402836-58-1

Elsewhere

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