[4-(trans-4-N-Propylcyclohexyl)phenyl]boronic acid

C₁₅H₂₃BO₂CAS 146862-02-4246.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₂₃BO₂
Molar mass: 246.16 g/mol
Exact mass: 246.1791 Da
logP: 2.44Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

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

146862-02-4

SMILES

B(C1=CC=C(C=C1)C2CCC(CC2)CCC)(O)O

InChIKey

QTBUVZSHCNAPRT-UHFFFAOYSA-N

InChI

InChI=1S/C15H23BO2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h8-13,17-18H,2-7H2,1H3

Weigh it out

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Names and synonyms

1 names

4-(trans-4-Propylcyclohexyl)phenylboronic Acid

Work with [4-(trans-4-N-Propylcyclohexyl)phenyl]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-(trans-4-Pentylcyclohexyl) phenyl boronic acid143651-26-780 % similar 4-(trans-4-Propylcyclohexyl)phenol81936-33-663 % similar 4-Cyclohexylbenzeneboronic acid374538-04-259 % similar 1-Bromo-4-(trans-4-propylcyclohexyl)benzene86579-53-558 % similar 1-Methoxy-4-(trans-4-propylcyclohexyl)benzene81936-32-555 % similar 1-Methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene84656-75-755 % similar 4-(trans-4-Propylcyclohexyl)benzonitrile61203-99-454 % similar 1-Ethoxy-4-(trans-4-propylcyclohexyl)benzene80944-44-154 % similar

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

Elsewhere

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