4-Benzyloxy-phenylboronic acid

C₁₃H₁₃BO₃CAS 146631-00-7228.05 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₁₃H₁₃BO₃
Molar mass: 228.05 g/mol
Exact mass: 228.0958 Da
logP: 0.95Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Identifiers

CAS number

146631-00-7

SMILES

B(C1=CC=C(C=C1)OCC2=CC=CC=C2)(O)O

InChIKey

DMJHEIDWSIAXCS-UHFFFAOYSA-N

InChI

InChI=1S/C13H13BO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2

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Names and synonyms

1 names

4-Benzyloxybenzeneboronic acid

Work with 4-Benzyloxy-phenylboronic acid

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

Hydroquinone dibenzyl ether621-91-067 % similar B-[3-Fluoro-5-(phenylmethoxy)phenyl]boronic acid850589-56-967 % similar 4-(Benzyloxy)benzyl alcohol836-43-158 % similar 4-Benzyloxy-3-fluorophenylboronic Acid133057-83-756 % similar 4-Benzyloxyaniline6373-46-256 % similar 4-(Phenylmethoxy)benzeneethanol61439-59-656 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-555 % similar 4-Benzyloxybenzyl chloride836-42-053 % similar

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

Same formula

3-Benzyloxyphenylboronic acid156682-54-1 2-Benzyloxyphenylboronic acid190661-29-1

Elsewhere

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