chempirical

(4-Hydroxyphenyl)carbamic acid tert-butyl ester

C11H15NO3CAS 54840-15-2209.25 g/mol

Open in Covalent MOL file
OOHNOH
CarbamatePhenol

Properties

Molecular formula
C11H15NO3
Molar mass
209.25 g/mol
Exact mass
209.1052 Da
Melting point
146 °C
logP
2.74Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
54840-15-2
SMILES
CC(C)(C)OC(=O)Nc1ccc(O)cc1
InChIKey
YRQMBQUMJFVZLF-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4-7,13H,1-3H3,(H,12,14)

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Names and synonyms

13 names · show all
  • Carbamic acid, N-(4-hydroxyphenyl)-, 1,1-dimethylethyl ester
  • Carbamic acid, (4-hydroxyphenyl)-, 1,1-dimethylethyl ester
  • 4-[(tert-Butoxycarbonyl)amino]phenol
  • tert-Butyl p-hydroxycarbanilate
  • tert-Butyl 4-hydroxyphenylcarbamate
  • tert-Butyl N-(4-hydroxyphenyl)carbamate
  • N-(4-Hydroxyphenyl)carbamic acid tert-butyl ester
  • N-(tert-Butoxycarbonyl)-4-hydroxyaniline
  • 4-(N-t-Butoxycarbonylamino)phenol
  • 1,1-Dimethylethyl (4-hydroxyphenyl)carbamate
  • 4-Hydroxy-N-(tert-butoxycarbonyl)aniline
  • N-Boc-4-hydroxyaniline
  • N-Boc-4-aminophenol

Work with (4-Hydroxyphenyl)carbamic acid tert-butyl ester

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-hydroxybenzoate25804-49-354 % similar (4-Chloro-pyridin-2-yl)-carbamic acid tert-butyl ester130721-78-743 % similar (S)-3-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid114346-31-542 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-842 % similar 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene108468-00-440 % similar (R)-2-((tert-Butoxycarbonyl)amino)-2-(2-methoxyphenyl)acetic acid1217786-73-639 % similar (S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-538 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-238 % similar

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

Same formula

Propoxur114-26-1 Ethyl-4-acetyl-3,5-dimethylpyrrole-2-carboxylate2386-26-7 L-Tyrosine ethyl ester949-67-7

Elsewhere

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