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

C₁₅H₁₉NO₂CAS 131801-69-9245.32 g/mol

Open in Covalent MOL file

Alcohol Ether Nitrile

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

131801-69-9

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

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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

Tasimelteon609799-22-6 1-[Cyano(4-methoxyphenyl)methyl]cyclohexanol93413-76-4 Phenylmethyl (2S,3as,6as)-octahydrocyclopenta[B]pyrrole-2-carboxylate93779-31-8

Elsewhere

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