Cyclohexyldiphenylphosphine oxide

C₁₈H₂₁OPCAS 13689-20-8284.34 g/mol

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Properties

Molecular formula: C₁₈H₂₁OP
Molar mass: 284.34 g/mol
Exact mass: 284.1330 Da
Melting point: 165–166 °C
logP: 4.33Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13689-20-8

SMILES

O=P(c1ccccc1)(c1ccccc1)C1CCCCC1

InChIKey

ICVUZKQDJNUMKC-UHFFFAOYSA-N

InChI

InChI=1S/C18H21OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2

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Names and synonyms

3 names

Phosphine oxide, cyclohexyldiphenyl-
Diphenylcyclohexylphosphine oxide
[Cyclohexyl(phenyl)phosphoryl]benzene

Work with Cyclohexyldiphenylphosphine oxide

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

Cyclohexylbenzene827-52-140 % similar Tricyclohexylphosphine oxide13689-19-539 % similar Triphenylphosphine oxide791-28-639 % similar Cyclohexyl phenyl ketone712-50-537 % similar Ethyldiphenylphosphine oxide1733-57-936 % similar N-Cyclohexylbenzenamine1821-36-936 % similar Cyclohexyldiphenylphosphine6372-42-536 % similar Dicyclohexylphenylphosphine6476-37-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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