chempirical

4-tert-Butyl-2-hydroxybenzaldehyde

C11H14O2CAS 66232-34-6178.23 g/mol

Open in Covalent MOL file
OOH
AldehydePhenol

Properties

Molecular formula
C11H14O2
Molar mass
178.23 g/mol
Exact mass
178.0994 Da
logP
2.50Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
66232-34-6
SMILES
CC(C)(C)c1ccc(C=O)c(O)c1
InChIKey
UYRSLWPKZKASRB-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O2/c1-11(2,3)9-5-4-8(7-12)10(13)6-9/h4-7,13H,1-3H3

Weigh it out

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

Names and synonyms

4 names
  • Benzaldehyde, 4-(1,1-dimethylethyl)-2-hydroxy-
  • 4-(1,1-Dimethylethyl)-2-hydroxybenzaldehyde
  • 2-Hydroxy-4-tert-butylbenzaldehyde
  • 4-tert-Butylsalicylaldehyde

Work with 4-tert-Butyl-2-hydroxybenzaldehyde

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-tert-Butylcatechol98-29-360 % similar 2-Bromo-5-(1,1-dimethylethyl)benzaldehyde875664-28-157 % similar 2-Hydroxy-4-methylbenzaldehyde698-27-155 % similar 2,4-Dihydroxybenzaldehyde95-01-253 % similar 2,4-Di-tert-butylphenol96-76-452 % similar 3,5-Di-tert-butylsalicylaldehyde37942-07-751 % similar 4-Bromo-2-hydroxybenzaldehyde22532-62-350 % similar 2-Hydroxy-4-methoxybenzaldehyde673-22-350 % similar

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

Same formula

Benzyl isobutyrate103-28-6 Benzyl butyrate103-37-7 4-(4-Methoxyphenyl)-2-butanone104-20-1 1-Phenylethyl propionate120-45-6 Isobutyl benzoate120-50-3 2-Phenethyl propionate122-70-3 3-Phenylpropyl acetate122-72-5 Butyl benzoate136-60-7

Elsewhere

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