chempirical

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

C12H17BO3CAS 214360-76-6220.07 g/mol

Open in Covalent MOL file
OBOHO
Boronic esterPhenol

Properties

Molecular formula
C12H17BO3
Molar mass
220.07 g/mol
Exact mass
220.1271 Da
logP
1.69Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
214360-76-6
SMILES
CC1(C)OB(c2cccc(O)c2)OC1(C)C
InChIKey
MUKIFYQKIZOYKT-UHFFFAOYSA-N
InChI
InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8,14H,1-4H3

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Names and synonyms

5 names
  • Phenol, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenol
  • 2-(3-Hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
  • 3-Hydroxyphenylboronic acid pinacol ester

Work with 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

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-Cyanophenyl)boronic acid pinacol ester214360-46-059 % similar 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-558 % similar 4,4,5,5-Tetramethyl-2-[3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane325142-82-357 % similar 4,4,5,5-Tetramethyl-2-(3-(triphenylen-2-yl)phenyl)-1,3,2-dioxaborolane1115639-92-353 % similar 2,4-Diphenyl-6-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1269508-31-753 % similar [[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]amine hydrochloride380430-65-951 % similar 2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269410-22-250 % similar 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-049 % similar

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

Elsewhere

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