chempirical

5-Isopropyl-2-methoxyphenylboronic acid

C10H15BO3CAS 216393-63-4194.04 g/mol

Open in Covalent MOL file
BOOHHO
Boronic acidEther

Properties

Molecular formula
C10H15BO3
Molar mass
194.04 g/mol
Exact mass
194.1114 Da
logP
0.50Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
216393-63-4
SMILES
B(C1=C(C=CC(=C1)C(C)C)OC)(O)O
InChIKey
UTKAEAGLVJFBMK-UHFFFAOYSA-N
InChI
InChI=1S/C10H15BO3/c1-7(2)8-4-5-10(14-3)9(6-8)11(12)13/h4-7,12-13H,1-3H3

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Names and synonyms

1 names
  • 5-Isopropyl-2-methoxybenzeneboronic acid

Work with 5-Isopropyl-2-methoxyphenylboronic 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 acid107099-99-060 % similar 2-Methoxy-5-methylphenylboronic acid127972-00-358 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-057 % similar 5-Bromo-2-methoxyphenylboronic acid89694-45-157 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-457 % similar 2-Methoxy-5-formylphenylboronic acid127972-02-553 % similar 2-Methoxyphenylboronic acid5720-06-951 % similar 3-Methoxynaphthalene-2-boronic acid104115-76-650 % similar

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

Same formula

B-(4-Butoxyphenyl)boronic acid105365-51-3 2-(Furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane248924-59-6 (4-Ethoxy-3,5-dimethylphenyl)boronic acid850568-59-1

Elsewhere

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