2-(4-Methylphenoxy)acetonitrile

C9H9NOCAS 33901-44-9147.18 g/mol

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ON
EtherNitrile

Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
logP
1.90Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
33901-44-9
SMILES
Cc1ccc(OCC#N)cc1
InChIKey
GOCOKJDTFHEYKP-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,7H2,1H3

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

Names and synonyms

5 names
  • Acetonitrile, 2-(4-methylphenoxy)-
  • Acetonitrile, (p-tolyloxy)-
  • Acetonitrile, (4-methylphenoxy)-
  • (4-Methylphenoxy)acetonitrile
  • (p-Tolyloxy)acetonitrile

Work with 2-(4-Methylphenoxy)acetonitrile

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-Methoxyphenoxyacetonitrile22446-12-466 % similar Phenoxyacetonitrile3598-14-963 % similar 2-(4-Chlorophenoxy)acetonitrile3598-13-860 % similar 2-(4-Formylphenoxy)acetonitrile385383-45-955 % similar 4-Methylphenylacetonitrile2947-61-750 % similar 4-Nitrophenoxyacetonitrile33901-46-150 % similar 2-(3-Chlorophenoxy)acetonitrile43111-32-646 % similar 3,5-Dichlorophenoxyacetonitrile103140-12-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methoxyindole1006-94-6 (4-Methoxyphenyl)acetonitrile104-47-2 Indole-4-methanol1074-85-7 1H-Indole-7-methanol1074-87-9 Indole-5-methanol1075-25-8 6-Hydroxymethylindole1075-26-9 3,4-Dihydroisoquinolin-1(2H)-one1196-38-9 2-Methyl-1H-indol-5-ol13314-85-7

Elsewhere

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