3-tert-Butoxymethylphenylboronic acid

C₁₁H₁₇BO₃CAS 858364-78-0208.06 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₁₁H₁₇BO₃
Molar mass: 208.06 g/mol
Exact mass: 208.1271 Da
logP: 0.68Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

858364-78-0

SMILES

B(C1=CC(=CC=C1)COC(C)(C)C)(O)O

InChIKey

XAAQNVFGBHTNRX-UHFFFAOYSA-N

InChI

InChI=1S/C11H17BO3/c1-11(2,3)15-8-9-5-4-6-10(7-9)12(13)14/h4-7,13-14H,8H2,1-3H3

Weigh it out

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Work with 3-tert-Butoxymethylphenylboronic 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

3-Methoxymethylphenylboronic acid142273-84-564 % similar 3-Ethylphenylboronic acid90555-65-056 % similar (3-Hydroxymethyl)phenylboronic acid87199-15-353 % similar 3-(Bromomethyl)phenylboronic acid51323-43-451 % similar 3-Benzyloxy-phenylboronic acid156682-54-149 % similar 1-(1,1-Dimethylethyl) 3-boronobenzoate220210-56-048 % similar 3-Cyanomethylphenylboronic acid220616-39-748 % similar (3-Aminomethylphenyl)boronic acid hydrochloride352525-94-148 % similar

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

Same formula

(4-Pentyloxyphenyl)boronic acid146449-90-3 4,4,5,5-Tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane338998-93-9

Elsewhere

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