2-Methoxymethylphenylboronic acid

C₈H₁₁BO₃CAS 126617-98-9165.98 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₈H₁₁BO₃
Molar mass: 165.98 g/mol
Exact mass: 166.0801 Da
logP: -0.49Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

126617-98-9

SMILES

B(C1=CC=CC=C1COC)(O)O

InChIKey

JHPPAFXQJZJGEP-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BO3/c1-12-6-7-4-2-3-5-8(7)9(10)11/h2-5,10-11H,6H2,1H3

Weigh it out

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

Names and synonyms

1 names

2-(Methoxymethyl)benzeneboronic acid

Work with 2-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

2-Methoxyphenylboronic acid5720-06-948 % similar 2-Methylphenylboronic acid16419-60-644 % similar Benzyl methyl ether538-86-342 % similar 1-Methyl 2-boronobenzoate374538-03-141 % similar 2-Methylsulfanylphenylboronic acid168618-42-640 % similar 3-Methoxynaphthalene-2-boronic acid104115-76-639 % similar B-(2-Aminophenyl)boronic acid5570-18-339 % similar (2-Phenoxyphenyl)boronic acid108238-09-139 % similar

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

Same formula

2-Methoxy-5-methylphenylboronic acid127972-00-3 3-Methoxymethylphenylboronic acid142273-84-5

Elsewhere

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