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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

Deoxyarbutin53936-56-464 % similar 2-(4-Bromophenoxy)tetrahydro-2H-pyran36603-49-359 % similar 4-Isopropoxybenzeneboronic acid153624-46-549 % similar (4-Pentyloxyphenyl)boronic acid146449-90-346 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-745 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-445 % similar 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)136370-19-945 % similar 4-Ethoxyphenylboronic acid22237-13-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,1-Dimethylethyl) 3-boronobenzoate220210-56-0 4-(tert-Butoxycarbonyl)phenylboronic acid850568-54-6 (3-(3-Ethoxy-3-oxopropyl)phenyl)boronic acid913835-82-2

Elsewhere

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