chempirical

2-Ethoxybenzonitrile

C9H9NOCAS 6609-57-0147.18 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
Melting point
120 °C
logP
1.96Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
6609-57-0
SMILES
CCOc1ccccc1C#N
InChIKey
DXTLCLWOCYLDHL-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzonitrile, 2-ethoxy-
  • Benzonitrile, o-ethoxy-
  • o-Ethoxybenzonitrile

Work with 2-Ethoxybenzonitrile

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

1,2-Diethoxybenzene2050-46-662 % similar 4-Ethoxy-2,3-difluorobenzonitrile126162-96-757 % similar 2-Methoxybenzonitrile6609-56-957 % similar 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile175204-04-351 % similar 1-(2-Bromoethoxy)-2-ethoxybenzene3259-03-850 % similar 1-Ethoxy-2-fluorobenzene451-80-950 % similar 1-Chloro-2-ethoxybenzene614-72-250 % similar 2-Ethoxyaniline94-70-250 % 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

PubChem CAS Common Chemistry NIST WebBook