chempirical

(4-Methoxy-2-methylphenyl)boronic acid

C8H11BO3CAS 208399-66-0165.98 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
-0.32Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
208399-66-0
SMILES
B(C1=C(C=C(C=C1)OC)C)(O)O
InChIKey
AMSQNQJCBXQYEX-UHFFFAOYSA-N
InChI
InChI=1S/C8H11BO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5,10-11H,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • 4-Methoxy-2-methylphenylboronic acid

Work with (4-Methoxy-2-methylphenyl)boronic 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

2,5-Dimethoxyphenylboronic acid107099-99-061 % similar 2-Fluoro-5-methoxyphenylboronic acid406482-19-757 % similar 3,4-Dimethylanisole4685-47-657 % similar B-(2,4-Dimethylphenyl)boronic acid55499-44-056 % similar B-(4-Hydroxy-2-methylphenyl)boronic acid493035-82-855 % similar 2,5-Dimethoxytoluene24599-58-453 % similar (4-Fluoro-2-methylphenyl)boronic acid139911-29-853 % similar 1-Chloro-4-methoxy-2-methylbenzene13334-71-952 % 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 3-Methoxymethylphenylboronic acid142273-84-5 (4-Methoxy-3-methylphenyl)boronic acid175883-62-2 (2-Ethoxyphenyl)boronic acid213211-69-9 4-Ethoxyphenylboronic acid22237-13-4

Elsewhere

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