2,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

C₁₄H₂₁BO₃CAS 269410-25-5248.13 g/mol

Open in Covalent MOL file

Boronic ester Phenol

Properties

Molecular formula: C₁₄H₂₁BO₃
Molar mass: 248.13 g/mol
Exact mass: 248.1584 Da
logP: 2.31Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

269410-25-5

SMILES

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

InChIKey

TYCKOBOJYNRIBO-UHFFFAOYSA-N

InChI

InChI=1S/C14H21BO3/c1-9-7-11(8-10(2)12(9)16)15-17-13(3,4)14(5,6)18-15/h7-8,16H,1-6H3

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Work with 2,6-Dimethyl-4-(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

1,3,5-Phenyltriboronic acid, pinacol ester365564-05-261 % similar 4-Hydroxyphenylboronic acid pinacol ester269409-70-350 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-649 % similar 4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane827614-70-049 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-848 % similar 2,6-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine408492-27-347 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-847 % similar 4,4,5,5-Tetramethyl-2-(m-tolyl)-1,3,2-dioxaborolane253342-48-246 % similar

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

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