chempirical

2,5-Dimethoxyphenylboronic acid

C8H11BO4CAS 107099-99-0181.98 g/mol

Open in Covalent MOL file
BOOOHHO
Boronic acidEther

Properties

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

Identifiers

CAS number
107099-99-0
SMILES
B(C1=C(C=CC(=C1)OC)OC)(O)O
InChIKey
QOZLFNQLIKOGDR-UHFFFAOYSA-N
InChI
InChI=1S/C8H11BO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5,10-11H,1-2H3

Weigh it out

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

Work with 2,5-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

2-Methoxy-5-methylphenylboronic acid127972-00-366 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-064 % similar 2-Fluoro-5-methoxyphenylboronic acid406482-19-764 % similar 5-Bromo-2-methoxyphenylboronic acid89694-45-164 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-464 % similar 2-Methoxy-5-formylphenylboronic acid127972-02-558 % similar 2-Methoxyphenylboronic acid5720-06-958 % similar 3-Methoxynaphthalene-2-boronic acid104115-76-656 % similar

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

Same formula

3,4-Dimethoxyphenylboronic acid122775-35-3 2,4-Dimethoxybenzeneboronic acid133730-34-4

Elsewhere

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