2-Benzyloxyphenylboronic acid

C₁₃H₁₃BO₃CAS 190661-29-1228.05 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

190661-29-1

SMILES

B(C1=CC=CC=C1OCC2=CC=CC=C2)(O)O

InChIKey

MCAIDINWZOCYQK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

(2-(Benzyloxy)phenyl)boronic acid

Work with 2-Benzyloxyphenylboronic 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

2-(2-(Benzyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1027757-13-655 % similar 2-(Phenylmethoxy)phenol6272-38-455 % similar 4-Benzyloxy-3-fluorophenylboronic Acid133057-83-753 % similar 2-Methoxyphenylboronic acid5720-06-952 % similar 2-Benzyloxyaniline20012-63-950 % similar B-[3-Fluoro-5-(phenylmethoxy)phenyl]boronic acid850589-56-946 % similar 2-(Benzyloxy)benzoic acid14389-86-746 % similar 2-(Benzyloxy)benzaldehyde5896-17-346 % similar

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

Same formula

4-Benzyloxy-phenylboronic acid146631-00-7 3-Benzyloxyphenylboronic acid156682-54-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook