3-Butoxyphenylboronic acid

C₁₀H₁₅BO₃CAS 352534-81-7194.04 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₁₀H₁₅BO₃
Molar mass: 194.04 g/mol
Exact mass: 194.1114 Da
logP: 0.55Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

352534-81-7

SMILES

B(C1=CC(=CC=C1)OCCCC)(O)O

InChIKey

ZTRKYYYDXARQRD-UHFFFAOYSA-N

InChI

InChI=1S/C10H15BO3/c1-2-3-7-14-10-6-4-5-9(8-10)11(12)13/h4-6,8,12-13H,2-3,7H2,1H3

Weigh it out

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

Names and synonyms

1 names

3-Butoxybenzeneboronic acid

Work with 3-Butoxyphenylboronic 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

3-Propoxyphenylboronic acid149557-18-682 % similar (4-Pentyloxyphenyl)boronic acid146449-90-361 % similar 3-Butoxyphenol18979-72-161 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-759 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-459 % similar 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)136370-19-959 % similar 4'-Pentyloxybiphenyl-4-boronic Acid158937-25-856 % similar 3-Benzyloxyphenylboronic acid156682-54-155 % similar

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

Same formula

B-(4-Butoxyphenyl)boronic acid105365-51-3 5-Isopropyl-2-methoxyphenylboronic acid216393-63-4 2-(Furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane248924-59-6 2-Furanboronic acid pinacol ester374790-93-9 (4-Ethoxy-3,5-dimethylphenyl)boronic acid850568-59-1

Elsewhere

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