2-(2-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C₁₉H₂₃BO₃CAS 1027757-13-6310.20 g/mol

Open in Covalent MOL file

Boronic ester Ether

Properties

Molecular formula: C₁₉H₂₃BO₃
Molar mass: 310.20 g/mol
Exact mass: 310.1740 Da
logP: 3.56Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

1027757-13-6

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OCC3=CC=CC=C3

InChIKey

OYMQYMSYMNEKLI-UHFFFAOYSA-N

InChI

InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-12-8-9-13-17(16)21-14-15-10-6-5-7-11-15/h5-13H,14H2,1-4H3

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Names and synonyms

1 names

2-Benzyloxyphenylboronic acid, pinacol ester

Work with 2-(2-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-459 % similar 4,4,5,5-Tetramethyl-2-O-tolyl-1,3,2-dioxaborolane195062-59-050 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-849 % similar 2-(Benzyloxy)benzaldehyde5896-17-344 % similar 2-Benzyloxyaniline20012-63-944 % similar 2-(Phenylmethoxy)phenol6272-38-444 % similar 4-Pinacol ester-9,9-dipehnylfluorene1259280-37-943 % similar 2-Methylpyridine-3-boronic acid pinacol ester1012084-56-842 % similar

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

Elsewhere

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