B-(4-Nonylphenyl)boronic acid

C₁₅H₂₅BO₂CAS 256383-45-6248.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₂₅BO₂
Molar mass: 248.17 g/mol
Exact mass: 248.1948 Da
logP: 2.66Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 9

Identifiers

CAS number

256383-45-6

SMILES

CCCCCCCCCc1ccc(B(O)O)cc1

InChIKey

VONVJOGSLHAKOX-UHFFFAOYSA-N

InChI

InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(4-nonylphenyl)-
Boronic acid, (4-nonylphenyl)-
4-Nonylphenylboronic acid
p-Nonylphenylboronic acid

Work with B-(4-Nonylphenyl)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

4-Pentylbenzeneboronic acid121219-12-396 % similar (4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid121554-18-586 % similar (4-Propylphenyl)boronic acid134150-01-971 % similar B-(4′-Propyl[1,1′-biphenyl]-4-yl)boronic acid153035-56-465 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-760 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-460 % similar 1-Nonyl-4-phenol104-40-558 % similar 4-N-Octylphenol1806-26-458 % similar

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

Same formula

(2,4,6-Tri(propan-2-yl)phenyl)boronic acid154549-38-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook