chempirical

4-Butylphenylboronic acid

C10H15BO2CAS 145240-28-4178.04 g/mol

Open in Covalent MOL file
BHOHO
Boronic acid

Properties

Molecular formula
C10H15BO2
Molar mass
178.04 g/mol
Exact mass
178.1165 Da
logP
0.71Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
145240-28-4
SMILES
B(C1=CC=C(C=C1)CCCC)(O)O
InChIKey
UGZUUTHZEATQAM-UHFFFAOYSA-N
InChI
InChI=1S/C10H15BO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8,12-13H,2-4H2,1H3

Weigh it out

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

Work with 4-Butylphenylboronic 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 acid121219-12-388 % similar B-(4-Nonylphenyl)boronic acid256383-45-685 % similar (4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid121554-18-579 % similar (4-Propylphenyl)boronic acid134150-01-977 % similar B-(4′-Propyl[1,1′-biphenyl]-4-yl)boronic acid153035-56-469 % similar (4-Ethylphenyl)boronic acid63139-21-961 % similar 4-Butylphenol1638-22-855 % similar B-[4-(Hexyloxy)phenyl]boronic acid121219-08-754 % similar

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

Same formula

4-tert-Butylphenylboronic acid123324-71-0 (4-Isobutylphenyl)boronic acid153624-38-5 2,3,5,6-Tetramethylphenylboronic acid197223-36-2

Elsewhere

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