4-(Tetrahydro-2H-pyran-2-yloxy)phenylboronic Acid (contains varying amounts of Anhydride)

C₁₁H₁₅BO₄CAS 182281-01-2222.05 g/mol

Open in Covalent MOL file

Acetal Boronic acid Ether

Properties

Molecular formula: C₁₁H₁₅BO₄
Molar mass: 222.05 g/mol
Exact mass: 222.1063 Da
logP: 0.27Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Identifiers

CAS number

182281-01-2

SMILES

B(C1=CC=C(C=C1)OC2CCCCO2)(O)O

InChIKey

DMGMCZRNMYQQQB-UHFFFAOYSA-N

InChI

InChI=1S/C11H15BO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11,13-14H,1-3,8H2

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Names and synonyms

1 names

4-(2-Tetrahydropyranyloxy)phenylboronic acid

Work with 4-(Tetrahydro-2H-pyran-2-yloxy)phenylboronic 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

2-(4-Bromophenoxy)tetrahydro-2H-pyran36603-49-359 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-745 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-445 % similar (4-Methoxyphenyl)boronic acid5720-07-041 % similar 2-(2-Bromoethoxy)tetrahydro-2H-pyran17739-45-638 % similar 6-Ethoxynaphthalen-2-yl boronic acid352525-98-536 % similar (4-Fluorophenyl)boronic acid1765-93-136 % similar 4-Pentylbenzeneboronic acid121219-12-333 % similar

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

Same formula

1-(1,1-Dimethylethyl) 3-boronobenzoate220210-56-0 [3-(2-Ethoxycarbonylethyl)phenyl]boronic acid913835-82-2

Elsewhere

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