1,1-Dimethylethyl 4-hydroxybenzoate

C₁₁H₁₄O₃CAS 25804-49-3194.23 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

tert-Butyl 4-iodobenzoate120363-13-564 % 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 Ethylparaben120-47-854 % similar Isopropylparaben4191-73-554 % similar (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-254 % similar

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

Same formula

Zingerone122-48-5 Ethyl p-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4 Ethyl 4-ethoxybenzoate23676-09-7 Ethyl 3-methoxybenzeneacetate35553-92-5

Elsewhere

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