3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile

C16H23NOCAS 1611-07-0245.37 g/mol

Open in Covalent MOL file
HON
NitrilePhenol

Properties

Molecular formula
C16H23NO
Molar mass
245.37 g/mol
Exact mass
245.1780 Da
logP
4.05Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1611-07-0
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC#N
InChIKey
BEQZSRGZHCDMMH-UHFFFAOYSA-N
InChI
InChI=1S/C16H23NO/c1-15(2,3)12-9-11(7-8-17)10-13(14(12)18)16(4,5)6/h9-10,18H,7H2,1-6H3

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Names and synonyms

1 names
  • (3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile

Work with 3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile

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

4,4'-Methylenebis(2,6-di-tert-butylphenol)118-82-161 % similar 2,6-Di-tert-butyl-4-ethylphenol4130-42-158 % similar 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol88-26-658 % similar 3,5-Di-tert-butyl-4-hydroxybenzonitrile1988-88-156 % similar 2,6-Di-tert-butyl-α-(dimethylamino)-p-cresol88-27-753 % similar 1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene1709-70-251 % similar 4-Hydroxy-3,5-dimethoxybenzeneacetonitrile42973-55-751 % similar 2,4,6-Tri-tert-butylphenol732-26-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

R-(-)-BPAP260550-89-8 (±)-Tolperisone728-88-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook