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

C₁₅H₂₁NOCAS 1988-88-1231.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₂₁NO
Molar mass: 231.34 g/mol
Exact mass: 231.1623 Da
logP: 3.86Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1988-88-1

SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C#N

InChIKey

AKXIIOLURNATOC-UHFFFAOYSA-N

InChI

InChI=1S/C15H21NO/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-8,17H,1-6H3

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Names and synonyms

1 names

Benzonitrile, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

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

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

3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile1611-07-056 % similar 2,4,6-Tri-tert-butylphenol732-26-355 % similar Butylated hydroxytoluene128-37-053 % similar 2,6-Di-tert-butyl-4-ethylphenol4130-42-153 % similar 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol88-26-653 % similar 4-Bromo-2,6-di-tert-butylphenol1139-52-252 % similar 4,4′-Methylenebis[2,6-di-tert-butylphenol]118-82-152 % similar 4-Hydroxy-3,5-dimethylbenzonitrile4198-90-752 % similar

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

Same formula

4-(Octyloxy)benzonitrile88374-55-4

Elsewhere

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