B-(4-Butoxyphenyl)boronic acid

C₁₀H₁₅BO₃CAS 105365-51-3194.04 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₁₀H₁₅BO₃
Molar mass: 194.04 g/mol
Exact mass: 194.1114 Da
logP: 0.55Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Identifiers

CAS number

105365-51-3

SMILES

CCCCOc1ccc(B(O)O)cc1

InChIKey

QUPFQMXWFNJUNJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H15BO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7,12-13H,2-3,8H2,1H3

Weigh it out

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

Names and synonyms

3 names

Boronic acid, B-(4-butoxyphenyl)-
Boronic acid, (4-butoxyphenyl)-
4-Butoxyphenylboronic acid

Work with B-(4-Butoxyphenyl)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

B-[4-(Hexyloxy)phenyl]boronic acid121219-08-787 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-487 % similar 4-Butoxyphenol122-94-161 % similar 4-Butoxybenzenemethanol6214-45-557 % similar Butyl phenyl ether1126-79-056 % similar 4-Pentylbenzeneboronic acid121219-12-356 % similar 4-Butoxybenzenamine4344-55-256 % similar B-(4-Nonylphenyl)boronic acid256383-45-654 % similar

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

Same formula

(4-Ethoxy-3,5-dimethylphenyl)boronic acid850568-59-1

Elsewhere

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