1,1-Dimethylethyl 4-hydroxybenzoate

C11H14O3CAS 25804-49-3194.23 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
Melting point
130–132 °C
logP
2.35Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
25804-49-3
SMILES
CC(C)(C)OC(=O)c1ccc(O)cc1
InChIKey
WHWMOMRHHQLBQQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7,12H,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • Benzoic acid, 4-hydroxy-, 1,1-dimethylethyl ester
  • Benzoic acid, p-hydroxy-, tert-butyl ester
  • tert-Butyl 4-hydroxybenzoate
  • p-Hydroxybenzoic acid tert-butyl ester
  • 4-(tert-Butoxycarbonyl)phenol
  • tert-Butyl p-hydroxybenzoate
  • 4-Hydroxybenzoic acid tert-butyl ester

Work with 1,1-Dimethylethyl 4-hydroxybenzoate

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

1,1-Dimethylethyl 4-methylbenzoate13756-42-866 % similar tert-Butyl 4-iodobenzoate120363-13-564 % similar tert-Butyl 4-aminobenzoate18144-47-364 % similar 4-(tert-Butoxycarbonyl)phenylboronic acid850568-54-663 % similar Methylparaben99-76-359 % similar tert-Butyl 4-(bromomethyl)benzoate108052-76-258 % similar tert-Butyl 4-(chloromethyl)benzoate121579-86-058 % similar 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate850568-72-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Zingerone122-48-5 Ethyl 4-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Methyl 3-(4-methoxyphenyl)propanoate15823-04-8 4-Isopropylphenoxyacetic acid1643-16-9 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4

Elsewhere

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