4-Benzyloxy-2-methylphenylboronic acid

C₁₄H₁₅BO₃CAS 847560-49-0242.08 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₁₄H₁₅BO₃
Molar mass: 242.08 g/mol
Exact mass: 242.1114 Da
logP: 1.25Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

847560-49-0

SMILES

B(C1=C(C=C(C=C1)OCC2=CC=CC=C2)C)(O)O

InChIKey

VCDFDGOVNBMYRW-UHFFFAOYSA-N

InChI

InChI=1S/C14H15BO3/c1-11-9-13(7-8-14(11)15(16)17)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3

Weigh it out

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Work with 4-Benzyloxy-2-methylphenylboronic 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

4-Benzyloxy-2-fluorophenylboronic acid166744-78-166 % similar 4-Ethoxy-2-methylphenylboronic acid313545-31-264 % similar 4-Benzyloxy-2-formylphenylboronic acid139962-97-361 % similar 4-Benzyloxy-1-bromo-2-methylbenzene17671-75-959 % similar 4-Benzyloxy-phenylboronic acid146631-00-756 % similar (4-Methoxy-2-methylphenyl)boronic acid208399-66-056 % similar 3-Benzyloxy-phenylboronic acid156682-54-156 % similar 2-Methyl 4-benzyloxybenzaldehyde101093-56-555 % similar

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

Same formula

4-Benzyloxy-3-methylphenylboronic Acid (contains varying amounts of Anhydride)338454-30-1

Elsewhere

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