4-Ethoxyphenylboronic acid

C₈H₁₁BO₃CAS 22237-13-4165.98 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₈H₁₁BO₃
Molar mass: 165.98 g/mol
Exact mass: 166.0801 Da
logP: -0.23Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 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

22237-13-4

SMILES

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

InChIKey

WRQNDLDUNQMTCL-UHFFFAOYSA-N

InChI

InChI=1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3

Weigh it out

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

Work with 4-Ethoxyphenylboronic 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-Propoxyphenylboronic acid186497-67-672 % similar (6-Ethoxynaphthalen-2-yl)boronic acid352525-98-571 % similar B-(4-Butoxyphenyl)boronic acid105365-51-368 % similar (4-Pentyloxyphenyl)boronic acid146449-90-366 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-764 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-464 % similar 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)136370-19-964 % similar 1,4-Diethoxybenzene122-95-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxymethylphenylboronic acid126617-98-9 2-Methoxy-5-methylphenylboronic acid127972-00-3 3-Methoxymethylphenylboronic acid142273-84-5 (4-Methoxy-3-methylphenyl)boronic acid175883-62-2 (4-Methoxy-2-methylphenyl)boronic acid208399-66-0 (2-Ethoxyphenyl)boronic acid213211-69-9 3-Ethoxybenzeneboronic acid90555-66-1

Elsewhere

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