4-Pentylbenzeneboronic acid

C₁₁H₁₇BO₂CAS 121219-12-3192.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₇BO₂
Molar mass: 192.06 g/mol
Exact mass: 192.1322 Da
logP: 1.10Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5

Identifiers

CAS number

121219-12-3

SMILES

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

InChIKey

UZRMPSOGFATLJE-UHFFFAOYSA-N

InChI

InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3

Weigh it out

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

Names and synonyms

1 names

(4-Pentylphenyl)boronic acid

Work with 4-Pentylbenzeneboronic 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-Nonylphenyl)boronic acid256383-45-696 % similar (4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid121554-18-589 % similar (4-Propylphenyl)boronic acid134150-01-974 % similar B-(4′-Propyl[1,1′-biphenyl]-4-yl)boronic acid153035-56-467 % similar (4-Ethylphenyl)boronic acid63139-21-959 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-757 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-457 % similar 4-Pentylphenol14938-35-357 % similar

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

Elsewhere

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