chempirical

3-Methoxymethylphenylboronic acid

C8H11BO3CAS 142273-84-5165.98 g/mol

Open in Covalent MOL file
BOHOHO
Boronic acidEther

Properties

Molecular formula
C8H11BO3
Molar mass
165.98 g/mol
Exact mass
166.0801 Da
logP
-0.49Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
142273-84-5
SMILES
B(C1=CC(=CC=C1)COC)(O)O
InChIKey
XOSGESMDNPVZKS-UHFFFAOYSA-N
InChI
InChI=1S/C8H11BO3/c1-12-6-7-3-2-4-8(5-7)9(10)11/h2-5,10-11H,6H2,1H3

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

Names and synonyms

1 names
  • 3-(Methoxymethyl)benzeneboronic acid

Work with 3-Methoxymethylphenylboronic 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

(3-Hydroxymethyl)phenylboronic acid87199-15-358 % similar 3-(Bromomethyl)phenylboronic acid51323-43-456 % similar 3-Benzyloxyphenylboronic acid156682-54-153 % similar (3-Aminomethylphenyl)boronic acid hydrochloride352525-94-151 % similar 3-Fluorophenylboronic acid768-35-448 % similar Benzyl methyl ether538-86-348 % similar 3-Methylphenylboronic acid17933-03-847 % similar [3-(2-Ethoxycarbonylethyl)phenyl]boronic acid913835-82-247 % 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 (4-Methoxy-3-methylphenyl)boronic acid175883-62-2

Elsewhere

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