chempirical

1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol

C15H19NO2CAS 93413-76-4245.32 g/mol

Open in Covalent MOL file
ONOH
AlcoholEtherNitrile

Properties

Molecular formula
C15H19NO2
Molar mass
245.32 g/mol
Exact mass
245.1416 Da
Melting point
122–124 °C
logP
3.00Crippen estimate
Polar surface area
53.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
93413-76-4
SMILES
COc1ccc(C(C#N)C2(O)CCCCC2)cc1
InChIKey
ASYJSBPNAIDUHX-UHFFFAOYSA-N
InChI
InChI=1S/C15H19NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-10H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzeneacetonitrile, α-(1-hydroxycyclohexyl)-4-methoxy-
  • Benzeneacetonitrile, α-(1-hydroxycyclohexyl)-4-methoxy-, (±)-
  • α-(1-Hydroxycyclohexyl)-4-methoxybenzeneacetonitrile
  • α-(p-Methoxyphenyl)-α-(1-hydroxycyclohexyl)acetonitrile
  • 1-[Cyano(p-methoxyphenyl)methyl]cyclohexanol
  • (4-Methoxyphenyl)-(1-hydroxycyclohex-1-yl)acetonitrile
  • 2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile

Work with 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol

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

Same formula

1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol131801-69-9 Tasimelteon609799-22-6 Phenylmethyl (2S,3as,6as)-octahydrocyclopenta[B]pyrrole-2-carboxylate93779-31-8

Elsewhere

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