2-(4-Formylphenoxy)acetonitrile

C9H7NO2CAS 385383-45-9161.16 g/mol

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NOO
AldehydeEtherNitrile

Properties

Molecular formula
C9H7NO2
Molar mass
161.16 g/mol
Exact mass
161.0477 Da
logP
1.40Crippen estimate
Polar surface area
50.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

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
385383-45-9
SMILES
N#CCOc1ccc(C=O)cc1
InChIKey
RHOUEVUVWQOUMH-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,6H2

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Names and synonyms

5 names
  • Acetonitrile, 2-(4-formylphenoxy)-
  • Acetonitrile, (4-formylphenoxy)-
  • 4-(Cyanomethoxy)benzaldehyde
  • ((4-Formylphenyl)oxy)acetonitrile
  • (4-Formyl-phenoxy)-acetonitrile

Work with 2-(4-Formylphenoxy)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

Phenoxyacetonitrile3598-14-957 % similar 4-Ethoxybenzaldehyde10031-82-055 % similar 4-Methoxyphenoxyacetonitrile22446-12-455 % similar 2-(4-Methylphenoxy)acetonitrile33901-44-955 % similar 2-(4-Chlorophenoxy)acetonitrile3598-13-855 % similar 4-(Benzyloxy)benzaldehyde4397-53-954 % similar 4-(2-Hydroxyethoxy)benzaldehyde22042-73-551 % similar 4-(Allyloxy)benzaldehyde40663-68-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Phenyl-5(4H)-isoxazolone1076-59-1 8-Hydroxyquinoline N-oxide1127-45-3 7-Methylisatin1127-59-9 Methyl 4-cyanobenzoate1129-35-7 Azlactone1199-01-5 Methyl m-cyanobenzoate13531-48-1 Indole-2-carboxylic acid1477-50-5 8-Hydroxyquinolin-2(1H)-one15450-76-7

Elsewhere

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