chempirical

4-Benzyloxy-3-methylphenylboronic Acid (contains varying amounts of Anhydride)

C14H15BO3CAS 338454-30-1242.08 g/mol

Open in Covalent MOL file
BOHOHO
Boronic acidEther

Properties

Molecular formula
C14H15BO3
Molar mass
242.08 g/mol
Exact mass
242.1114 Da
logP
1.25Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
338454-30-1
SMILES
B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C)(O)O
InChIKey
QPXFEWQLALNXEZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H15BO3/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • 4-Benzyloxy-3-methylbenzeneboronic acid

Work with 4-Benzyloxy-3-methylphenylboronic Acid (contains varying amounts of Anhydride)

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-Benzyloxy-3-fluorophenylboronic Acid133057-83-766 % similar 4-Benzyloxy-3-chlorophenylboronic acid845551-44-266 % similar 4-Benzyloxy-phenylboronic acid146631-00-756 % similar (4-Methoxy-3-methylphenyl)boronic acid175883-62-256 % similar 3-Benzyloxyphenylboronic acid156682-54-156 % similar 2-Benzyloxyphenylboronic acid190661-29-153 % similar B-[3-Fluoro-5-(phenylmethoxy)phenyl]boronic acid850589-56-952 % similar 2-Benzyloxy-5-fluorophenylboronic acid779331-47-451 % similar

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

Same formula

4-Benzyloxy-2-methylphenylboronic acid847560-49-0

Elsewhere

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