chempirical

(4-Pentyloxyphenyl)boronic acid

C11H17BO3CAS 146449-90-3208.06 g/mol

Open in Covalent MOL file
BOHOHO
Boronic acidEther

Properties

Molecular formula
C11H17BO3
Molar mass
208.06 g/mol
Exact mass
208.1271 Da
logP
0.94Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

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
146449-90-3
SMILES
B(C1=CC=C(C=C1)OCCCCC)(O)O
InChIKey
WHFKSJLAGACWMF-UHFFFAOYSA-N
InChI
InChI=1S/C11H17BO3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8,13-14H,2-4,9H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • 4-Pentyloxyphenylboronic Acid (contains varying amounts of Anhydride)

Work with (4-Pentyloxyphenyl)boronic 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

B-[4-(Hexyloxy)phenyl]boronic acid121219-08-797 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-497 % similar 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)136370-19-997 % similar 4'-Pentyloxybiphenyl-4-boronic Acid158937-25-891 % similar B-(4-Butoxyphenyl)boronic acid105365-51-390 % similar 4-Propoxyphenylboronic acid186497-67-677 % similar 4-Ethoxyphenylboronic acid22237-13-466 % similar 3-Butoxyphenylboronic acid352534-81-761 % similar

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

Same formula

4,4,5,5-Tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane338998-93-9 3-tert-Butoxymethylphenylboronic acid858364-78-0

Elsewhere

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