4-(trans-4-Pentylcyclohexyl) phenyl boronic acid

C₁₇H₂₇BO₂CAS 143651-26-7274.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₂₇BO₂
Molar mass: 274.21 g/mol
Exact mass: 274.2104 Da
logP: 3.22Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 6

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

143651-26-7

SMILES

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

InChIKey

JFESOTHKCUMHGA-UHFFFAOYSA-N

InChI

InChI=1S/C17H27BO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h10-15,19-20H,2-9H2,1H3

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Names and synonyms

1 names

4-(trans-4-Pentylcyclohexyl)phenylboronic Acid

Work with 4-(trans-4-Pentylcyclohexyl) 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-N-Propylcyclohexyl)phenyl]boronic acid146862-02-480 % similar 4-(trans-4-Pentylcyclohexyl)phenol82575-69-766 % similar 4-Cyclohexylbenzeneboronic acid374538-04-263 % similar 4-(trans-4-Pentylcyclohexyl)-1-fluorobenzene76802-61-462 % similar 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene79832-89-662 % similar 4-(trans-4-Butylcyclohexyl)phenol88581-00-459 % similar 4-(trans-4-Pentylcyclohexyl)benzonitrile61204-01-157 % similar 4-Ethyl-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl79709-85-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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