3-tert-Butyl-2-hydroxybenzaldehyde

C₁₁H₁₄O₂CAS 24623-65-2178.23 g/mol

Open in Covalent MOL file

Aldehyde Phenol

Properties

Molecular formula: C₁₁H₁₄O₂
Molar mass: 178.23 g/mol
Exact mass: 178.0994 Da
logP: 2.50Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

24623-65-2

SMILES

CC(C)(C)C1=CC=CC(=C1O)C=O

InChIKey

ROILLNJICXGZQQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H14O2/c1-11(2,3)9-6-4-5-8(7-12)10(9)13/h4-7,13H,1-3H3

Weigh it out

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

Work with 3-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

3,5-Di-tert-butylsalicylaldehyde37942-07-758 % similar 3-Methylsalicylaldehyde824-42-056 % similar 2,3-Dihydroxybenzaldehyde24677-78-955 % similar 2-tert-Butyl-6-methylphenol2219-82-153 % similar 3,5-Di-tert-butyl-4-hydroxybenzaldehyde1620-98-051 % similar Ortho-vanillin148-53-851 % similar 3-Ethoxysalicylaldehyde492-88-648 % similar 2-Hydroxy-3-nitrobenzaldehyde5274-70-445 % 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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