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

Boronic ester Phenol

Properties

Molecular formula: C₁₂H₁₇BO₃
Molar mass: 220.07 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

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-872 % similar 4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane253342-48-262 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline210907-84-960 % similar 2-(3-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane594823-67-360 % similar 4,4,5,5-Tetramethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane912844-88-360 % similar 3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile214360-46-059 % similar (3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol443776-76-959 % similar 3-Carboxyphenylboronic acid pinacol ester269409-73-659 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Hydroxyphenylboronic acid pinacol ester269409-70-3 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-4

Elsewhere

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