2-(4-Ethoxyphenyl)acetonitrile

C₁₀H₁₁NOCAS 6775-77-5161.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₁NO
Molar mass: 161.20 g/mol
Exact mass: 161.0841 Da
logP: 2.15Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

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

Identifiers

CAS number

6775-77-5

SMILES

CCOC1=CC=C(C=C1)CC#N

InChIKey

PQXBQWKKJUWNDI-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6H,2,7H2,1H3

Weigh it out

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Names and synonyms

1 names

4-Ethoxyphenylacetonitrile

Work with 2-(4-Ethoxyphenyl)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-Butoxyphenylacetonitrile38746-93-970 % similar 3,4-Diethoxybenzeneacetonitrile27472-21-562 % similar (4-Methoxyphenyl)acetonitrile104-47-261 % similar 4-(Phenylmethoxy)benzeneacetonitrile838-96-061 % similar 1,4-Diethoxybenzene122-95-258 % similar 1,4-Benzenediacetonitrile622-75-358 % similar 4-Ethylphenylacetonitrile51632-28-157 % similar 4-Ethoxybenzonitrile25117-74-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Ethoxy-1H-indole10501-17-4 5-Methoxy-2-methylindole1076-74-0 1,2,3,4-Tetrahydro-benzo(b)azepin-5-one1127-74-8 4-Phenyl-2-pyrrolidinone1198-97-6 N-Benzylacrylamide13304-62-6 3-(Methylphenylamino)-2-propenal14189-82-3 1-Acetylindoline16078-30-1 2,5,6-Trimethylbenzoxazole19219-98-8

Elsewhere

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