4'-Pentyloxybiphenyl-4-boronic Acid

C₁₇H₂₁BO₃CAS 158937-25-8284.16 g/mol

Open in Covalent MOL file

Boronic acid Ether

Properties

Molecular formula: C₁₇H₂₁BO₃
Molar mass: 284.16 g/mol
Exact mass: 284.1584 Da
logP: 2.60Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 7

Identifiers

CAS number

158937-25-8

SMILES

B(C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCC)(O)O

InChIKey

DBDYXLZXTNHAFI-UHFFFAOYSA-N

InChI

InChI=1S/C17H21BO3/c1-2-3-4-13-21-17-11-7-15(8-12-17)14-5-9-16(10-6-14)18(19)20/h5-12,19-20H,2-4,13H2,1H3

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Names and synonyms

1 names

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

Work with 4'-Pentyloxybiphenyl-4-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′-(Pentyloxy)-4-cyanobiphenyl52364-71-356 % similar 4-(Heptyloxy)phenol13037-86-055 % similar 4-(Hexyloxy)phenol18979-55-055 % similar 4-(Octyloxy)phenol3780-50-555 % similar 4′-(Hexyloxy)[1,1′-biphenyl]-4-carbonitrile41424-11-755 % similar 4′-(Heptyloxy)[1,1′-biphenyl]-4-carbonitrile52364-72-455 % similar 4′-(Octyloxy)-4-cyanobiphenyl52364-73-555 % similar 4-Pentylbenzeneboronic acid121219-12-354 % similar

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

Elsewhere

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