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

Hazards

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

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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

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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 (2-Chloro-5-methoxyphenyl)boronic acid89694-46-264 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-464 % similar 5-Methoxy-2-formylphenylboronic acid40138-18-963 % similar (4-Methoxy-2-methylphenyl)boronic acid208399-66-061 % 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 3,5-Dimethoxyphenylboronic acid192182-54-0 2,6-Dimethoxyphenylboronic acid23112-96-1 2,3-Dimethoxyphenylboronic acid40972-86-9 3-(Hydroxymethyl)-4-methoxyphenylboronic Acid908142-03-0

Elsewhere

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