chempirical

(4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid

C17H21BO2CAS 121554-18-5268.16 g/mol

Open in Covalent MOL file
BHOHO
Boronic acid

Properties

Molecular formula
C17H21BO2
Molar mass
268.16 g/mol
Exact mass
268.1635 Da
logP
2.77Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
6

Identifiers

CAS number
121554-18-5
SMILES
B(C1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC)(O)O
InChIKey
QRZCEXCQSFQDMG-UHFFFAOYSA-N
InChI
InChI=1S/C17H21BO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13,19-20H,2-5H2,1H3

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Names and synonyms

1 names
  • 4'-Pentyl-4-biphenylboronic Acid (contains varying amounts of Anhydride)

Work with (4'-Pentyl[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-Pentylbenzeneboronic acid121219-12-389 % similar B-(4-Nonylphenyl)boronic acid256383-45-686 % similar B-(4′-Propyl[1,1′-biphenyl]-4-yl)boronic acid153035-56-477 % similar (4-Propylphenyl)boronic acid134150-01-967 % similar 4-Pentyl-1,1′-biphenyl7116-96-361 % similar 4-Hexyl-1,1′-biphenyl59662-31-659 % similar 4-Methyl-4′-pentyl-1,1′-biphenyl64835-63-858 % similar (4-Ethylphenyl)boronic acid63139-21-953 % similar

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

Elsewhere

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