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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

Weigh it out

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

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-Pentyloxyphenyl)boronic acid146449-90-391 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-788 % similar 4-(N-Octyloxy)benzeneboronic acid121554-09-488 % similar 4-Heptyloxyphenylboronic Acid (contains varying amounts of Anhydride)136370-19-988 % similar B-(4-Butoxyphenyl)boronic acid105365-51-382 % similar 4-Propoxyphenylboronic acid186497-67-671 % similar (4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid121554-18-562 % similar 4-Ethoxyphenylboronic acid22237-13-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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