3,4-Dimethoxyphenylboronic acid

C₈H₁₁BO₄CAS 122775-35-3181.98 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₈H₁₁BO₄
Molar mass: 181.98 g/mol
Exact mass: 182.0750 Da
logP: -0.62Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

122775-35-3

SMILES

COc1ccc(B(O)O)cc1OC

InChIKey

RCVDPBFUMYUKPB-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BO4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5,10-11H,1-2H3

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(3,4-dimethoxyphenyl)-
Boronic acid, (3,4-dimethoxyphenyl)-
B-(3,4-Dimethoxyphenyl)boronic acid
3,4-Dimethoxybenzeneboronic acid

Work with 3,4-Dimethoxyphenylboronic 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

4-Fluoro-3-methoxyphenylboronic acid854778-31-768 % similar B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-368 % similar (3-Formyl-4-methoxyphenyl)boronic acid121124-97-862 % similar (4-Methoxyphenyl)boronic acid5720-07-055 % similar (3-Methoxyphenyl)boronic acid10365-98-753 % similar 3-Methoxynaphthalene-2-boronic acid104115-76-650 % similar 2-Methoxy-5-methylphenylboronic acid127972-00-350 % similar 3,4-Dimethoxyphenol2033-89-850 % similar

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

Same formula

2,5-Dimethoxyphenylboronic acid107099-99-0 2,4-Dimethoxybenzeneboronic acid133730-34-4

Elsewhere

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