(2,6-Dimethyl-4-methoxyphenyl)boronic acid

C₉H₁₃BO₃CAS 361543-99-9180.01 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₉H₁₃BO₃
Molar mass: 180.01 g/mol
Exact mass: 180.0958 Da
logP: -0.01Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

361543-99-9

SMILES

B(C1=C(C=C(C=C1C)OC)C)(O)O

InChIKey

UOSSBXMFWPYHEF-UHFFFAOYSA-N

InChI

InChI=1S/C9H13BO3/c1-6-4-8(13-3)5-7(2)9(6)10(11)12/h4-5,11-12H,1-3H3

Weigh it out

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

Work with (2,6-Dimethyl-4-methoxyphenyl)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

2,4,6-Trimethoxyphenylboronic acid135159-25-062 % similar (4-Methoxy-2-methylphenyl)boronic acid208399-66-059 % similar 2 6-Difluoro-4-methoxyphenylboronic acid406482-20-058 % similar 2,4,6-Trimethylbenzeneboronic acid5980-97-257 % similar 3,5-Dimethoxyphenylboronic acid192182-54-055 % similar 2,6-Dimethylphenylboronic acid100379-00-848 % similar 2,3,5,6-Tetramethylphenylboronic acid197223-36-247 % similar 3,4-Dimethylanisole4685-47-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethoxy-5-methylphenylboronic acid123291-97-4 2-Isopropoxyphenylboronic acid138008-97-6 3-Propoxyphenylboronic acid149557-18-6 4-Isopropoxybenzeneboronic acid153624-46-5 4-Propoxyphenylboronic acid186497-67-6 3-Isopropoxybenzeneboronic acid216485-86-8 3,5-Dimethyl-4-methoxybenzeneboronic acid301699-39-8 4-Ethoxy-2-methylphenylboronic acid313545-31-2

Elsewhere

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