chempirical

6-Ethoxynaphthalen-2-yl boronic acid

C12H13BO3CAS 352525-98-5216.04 g/mol

Open in Covalent MOL file
OBOHOH
Boronic acidEther

Properties

Molecular formula
C12H13BO3
Molar mass
216.04 g/mol
Exact mass
216.0958 Da
logP
0.92Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
352525-98-5
SMILES
CCOc1ccc2cc(B(O)O)ccc2c1
InChIKey
INXXVGFSXYJGHI-UHFFFAOYSA-N
InChI
InChI=1S/C12H13BO3/c1-2-16-12-6-4-9-7-11(13(14)15)5-3-10(9)8-12/h3-8,14-15H,2H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Boronic acid, B-(6-ethoxy-2-naphthalenyl)-
  • Boronic acid, (6-ethoxy-2-naphthalenyl)-
  • B-(6-Ethoxy-2-naphthalenyl)boronic acid

Work with 6-Ethoxynaphthalen-2-yl 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-Ethoxynaphthalene93-18-561 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-354 % similar B-(3-Ethoxy-4-fluorophenyl)boronic acid900174-65-454 % similar B-(4-Butoxyphenyl)boronic acid105365-51-350 % similar 2-Naphthylboronic acid32316-92-048 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-748 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-448 % similar (4-Ethoxy-3,5-dimethylphenyl)boronic acid850568-59-147 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook