chempirical

(4-Isobutylphenyl)boronic acid

C10H15BO2CAS 153624-38-5178.04 g/mol

Open in Covalent MOL file
BHOHO
Boronic acid

Properties

Molecular formula
C10H15BO2
Molar mass
178.04 g/mol
Exact mass
178.1165 Da
logP
0.56Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
153624-38-5
SMILES
B(C1=CC=C(C=C1)CC(C)C)(O)O
InChIKey
YZSPHVWALUJQNK-UHFFFAOYSA-N
InChI
InChI=1S/C10H15BO2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8,12-13H,7H2,1-2H3

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Names and synonyms

1 names
  • 4-Isobutylphenylboronic acid

Work with (4-Isobutylphenyl)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

(4-Ethylphenyl)boronic acid63139-21-955 % similar (4-Propylphenyl)boronic acid134150-01-953 % similar 1-Bromo-4-(2-methylpropyl)benzene2051-99-250 % similar Isobutylbenzene538-93-250 % similar 4-Borono-D-phenylalanine B10 enriched111821-49-949 % similar L-P-Boronophenylalanine76410-58-749 % similar P-Boronophenylalanine90580-64-649 % similar 4-Pentylbenzeneboronic acid121219-12-348 % similar

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

Same formula

4-tert-Butylphenylboronic acid123324-71-0 4-Butylphenylboronic acid145240-28-4 2,3,5,6-Tetramethylphenylboronic acid197223-36-2

Elsewhere

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