(4-Ethoxy-3,5-dimethylphenyl)boronic acid

C₁₀H₁₅BO₃CAS 850568-59-1194.04 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: 0.38Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

850568-59-1

SMILES

CCOc1c(C)cc(B(O)O)cc1C

InChIKey

FMJASQDMWVBTOJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H15BO3/c1-4-14-10-7(2)5-9(11(12)13)6-8(10)3/h5-6,12-13H,4H2,1-3H3

Weigh it out

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

Names and synonyms

3 names

Boronic acid, B-(4-ethoxy-3,5-dimethylphenyl)-
Boronic acid, (4-ethoxy-3,5-dimethylphenyl)-
B-(4-Ethoxy-3,5-dimethylphenyl)boronic acid

Work with (4-Ethoxy-3,5-dimethylphenyl)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

6-Ethoxynaphthalen-2-yl boronic acid352525-98-547 % similar 3,4-Dimethylphenylboronic acid55499-43-945 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-345 % similar B-(3-Ethoxy-4-fluorophenyl)boronic acid900174-65-445 % similar 2-Ethoxy-5-methylphenylboronic acid123291-97-443 % similar (3,5-Dimethylphenyl)boronic acid172975-69-841 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-739 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-439 % similar

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

Same formula

B-(4-Butoxyphenyl)boronic acid105365-51-3

Elsewhere

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