3-tert-Butyl-2-hydroxybenzaldehyde

C11H14O2CAS 24623-65-2178.23 g/mol

Open in Covalent MOL file
HOO
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

2,6-Di-tert-butylphenol128-39-262 % similar 3,5-Di-tert-butylsalicylaldehyde37942-07-758 % similar 3-Methylsalicylaldehyde824-42-056 % similar 2,3-Dihydroxybenzaldehyde24677-78-955 % similar 3-Bromo-2-hydroxybenzaldehyde1829-34-153 % similar 3-Chloro-2-hydroxy-benzaldehyde1927-94-253 % similar 2-tert-Butyl-6-methylphenol2219-82-153 % similar 3,5-Di-tert-butyl-4-hydroxybenzaldehyde1620-98-051 % 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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