Phenoxyphenyl-4-boronic acid pinacol ester

C₁₈H₂₁BO₃CAS 269410-26-6296.17 g/mol

Open in Covalent MOL file

Boronic ester Ether

Properties

Molecular formula: C₁₈H₂₁BO₃
Molar mass: 296.17 g/mol
Exact mass: 296.1584 Da
logP: 3.78Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

269410-26-6

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC3=CC=CC=C3

InChIKey

SFCRPRMZQXUXOG-UHFFFAOYSA-N

InChI

InChI=1S/C18H21BO3/c1-17(2)18(3,4)22-19(21-17)14-10-12-16(13-11-14)20-15-8-6-5-7-9-15/h5-13H,1-4H3

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Names and synonyms

1 names

4,4,5,5-Tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane

Work with Phenoxyphenyl-4-boronic 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-(4-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane171364-79-763 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-860 % similar 2,4-Diphenyl-6-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,5-triazine1219956-23-658 % similar 4-Hydroxyphenylboronic acid pinacol ester269409-70-355 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile171364-82-254 % 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-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate480424-70-253 % similar 2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane325142-84-551 % similar

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

Elsewhere

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