4-(N-Octyloxy)benzeneboronic acid

C₁₄H₂₃BO₃CAS 121554-09-4250.14 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₁₄H₂₃BO₃
Molar mass: 250.14 g/mol
Exact mass: 250.1740 Da
logP: 2.11Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 9

Identifiers

CAS number

121554-09-4

SMILES

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

InChIKey

WABZSVITXOJJKH-UHFFFAOYSA-N

InChI

InChI=1S/C14H23BO3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11,16-17H,2-7,12H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-n-Octyloxyphenylboronic Acid (contains varying amounts of Anhydride)

Work with 4-(N-Octyloxy)benzeneboronic 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 acid121219-08-7100 % similar B-(4-Butoxyphenyl)boronic acid105365-51-387 % similar 4-(Heptyloxy)phenol13037-86-063 % similar 4-(Hexyloxy)phenol18979-55-063 % similar 4-(Octyloxy)phenol3780-50-563 % similar B-(4-Nonylphenyl)boronic acid256383-45-660 % similar 1-Bromo-4-(hexyloxy)benzene30752-19-358 % similar 4-(Octyloxy)benzenamine39905-45-858 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook