chempirical

B-(4′-Propyl[1,1′-biphenyl]-4-yl)boronic acid

C15H17BO2CAS 153035-56-4240.11 g/mol

Open in Covalent MOL file
BOHOH
Boronic acid

Properties

Molecular formula
C15H17BO2
Molar mass
240.11 g/mol
Exact mass
240.1322 Da
logP
1.99Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
153035-56-4
SMILES
CCCc1ccc(-c2ccc(B(O)O)cc2)cc1
InChIKey
NOQFUISBLHCDSR-UHFFFAOYSA-N
InChI
InChI=1S/C15H17BO2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h4-11,17-18H,2-3H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Boronic acid, B-(4′-propyl[1,1′-biphenyl]-4-yl)-
  • Boronic acid, (4′-propyl[1,1′-biphenyl]-4-yl)-
  • (4′-Propyl-1,1′-biphenyl-4-yl)boronic acid

Work with B-(4′-Propyl[1,1′-biphenyl]-4-yl)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-Propylphenyl)boronic acid134150-01-988 % similar (4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid121554-18-577 % similar 4-Pentylbenzeneboronic acid121219-12-367 % similar B-(4-Nonylphenyl)boronic acid256383-45-665 % similar (4-Ethylphenyl)boronic acid63139-21-959 % similar B-(3-Fluoro-4′-propyl[1,1′-biphenyl]-4-yl)boronic acid909709-42-857 % similar 4-Propylbiphenyl10289-45-955 % similar B-(4-Butoxyphenyl)boronic acid105365-51-347 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook