chempirical

3-Benzyloxyphenylboronic acid

C13H13BO3CAS 156682-54-1228.05 g/mol

Open in Covalent MOL file
OHBHOO
Boronic acidEther

Properties

Molecular formula
C13H13BO3
Molar mass
228.05 g/mol
Exact mass
228.0958 Da
logP
0.95Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
156682-54-1
SMILES
OB(O)c1cccc(OCc2ccccc2)c1
InChIKey
WIJNYNBSPQMJGO-UHFFFAOYSA-N
InChI
InChI=1S/C13H13BO3/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9,15-16H,10H2

Weigh it out

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

Names and synonyms

6 names
  • Boronic acid, B-[3-(phenylmethoxy)phenyl]-
  • Boronic acid, [3-(phenylmethoxy)phenyl]-
  • B-[3-(Phenylmethoxy)phenyl]boronic acid
  • 3-Benzyloxybenzeneboronic acid
  • [3-[(Phenylmethyl)oxy]phenyl]boronic acid
  • (3-Phenylmethoxyphenyl)boronic acid

Work with 3-Benzyloxyphenylboronic 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-[3-Fluoro-5-(phenylmethoxy)phenyl]boronic acid850589-56-966 % similar 3-(Phenylmethoxy)benzenemethanol1700-30-758 % similar 4-Benzyloxy-3-fluorophenylboronic Acid133057-83-756 % similar 1-Iodo-3-(phenylmethoxy)benzene107623-21-254 % similar 3-(Benzyloxy)aniline1484-26-054 % similar 3-Benzyloxybenzyl bromide1700-31-854 % similar 1-Benzyloxy-3-bromobenzene53087-13-154 % similar 1-(Phenylmethyl) 3-boronobenzoate380430-52-453 % similar

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

Elsewhere

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