4-Hydroxyphenylboronic acid pinacol ester

C₁₂H₁₇BO₃CAS 269409-70-3220.08 g/mol

Open in Covalent MOL file

Boronic ester Phenol

Properties

Molecular formula: C₁₂H₁₇BO₃
Molar mass: 220.08 g/mol
Exact mass: 220.1271 Da
logP: 1.69Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

269409-70-3

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O

InChIKey

BICZJRAGTCRORZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3

Weigh it out

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

Names and synonyms

1 names

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

Work with 4-Hydroxyphenylboronic acid pinacol 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

2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-867 % similar 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-758 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-255 % similar Phenoxyphenyl-4-boronic acid pinacol ester269410-26-655 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid180516-87-454 % similar N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide480424-94-054 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-853 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide179117-44-351 % similar

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

Same formula

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-6 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-4

Elsewhere

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