2-Butoxyphenylboronic acid

C10H15BO3CAS 91129-69-0194.04 g/mol

Open in Covalent MOL file
BOOHHO
Boronic acidEther

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
91129-69-0
SMILES
B(C1=CC=CC=C1OCCCC)(O)O
InChIKey
NNZPYUBZXKOFHS-UHFFFAOYSA-N
InChI
InChI=1S/C10H15BO3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7,12-13H,2-3,8H2,1H3

Weigh it out

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

Work with 2-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

(2-Ethoxyphenyl)boronic acid213211-69-970 % similar 2-Benzyloxyphenylboronic acid190661-29-154 % similar 2-Methoxyphenylboronic acid5720-06-951 % similar 3-Ethoxy-2-fluorophenylboronic acid855230-61-449 % similar Butyl phenyl ether1126-79-049 % similar (4-Pentyloxyphenyl)boronic acid146449-90-348 % similar 2-Isopropoxyphenylboronic acid138008-97-647 % similar 9,10-Dibutoxyanthracene76275-14-447 % 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 3-Butoxyphenylboronic acid352534-81-7 2-Furanboronic acid pinacol ester374790-93-9 (4-Ethoxy-3,5-dimethylphenyl)boronic acid850568-59-1

Elsewhere

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