(4-Methoxy-2-methylphenyl)boronic acid

C₈H₁₁BO₃CAS 208399-66-0165.98 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₈H₁₁BO₃
Molar mass: 165.98 g/mol
Exact mass: 166.0801 Da
logP: -0.32Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

208399-66-0

SMILES

B(C1=C(C=C(C=C1)OC)C)(O)O

InChIKey

AMSQNQJCBXQYEX-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5,10-11H,1-2H3

Weigh it out

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

Names and synonyms

1 names

4-Methoxy-2-methylphenylboronic acid

Work with (4-Methoxy-2-methylphenyl)boronic 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

2,4-Dimethoxybenzeneboronic acid133730-34-466 % similar 4-Ethoxy-2-methylphenylboronic acid313545-31-263 % similar (2-Fluoro-4-methoxyphenyl)boronic acid162101-31-762 % similar 2-Chloro-4-methoxyphenylboronic acid219735-99-662 % similar 2,5-Dimethoxyphenylboronic acid107099-99-061 % similar (2,6-Dimethyl-4-methoxyphenyl)boronic acid361543-99-959 % similar 2-Fluoro-5-methoxyphenylboronic acid406482-19-757 % similar (2-Chloro-5-methoxyphenyl)boronic acid89694-46-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxymethylphenylboronic acid126617-98-9 2-Methoxy-5-methylphenylboronic acid127972-00-3 3-Methoxymethylphenylboronic acid142273-84-5 (4-Methoxy-3-methylphenyl)boronic acid175883-62-2 (2-Ethoxyphenyl)boronic acid213211-69-9 4-Ethoxyphenylboronic acid22237-13-4 3-Ethoxybenzeneboronic acid90555-66-1

Elsewhere

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