chempirical

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

C12H17BO3CAS 269409-97-4220.08 g/mol

Open in Covalent MOL file
BOOHO
Boronic esterPhenol

Properties

Molecular formula
C12H17BO3
Molar mass
220.08 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
269409-97-4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2O
InChIKey
VLROJECCXBBKPZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8,14H,1-4H3

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Work with 2-(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

4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-059 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-858 % similar 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-456 % similar 2-(2-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-48-254 % similar 2-(2-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1027757-13-653 % similar 2-Nitrobenzeneboronic acid pinacol ester190788-59-153 % similar Phenylboronic acid pinacol ester24388-23-652 % similar 2-Methylpyridine-3-boronic acid pinacol ester1012084-56-849 % 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 4-Hydroxyphenylboronic acid pinacol ester269409-70-3

Elsewhere

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