chempirical

4-Ethoxybenzonitrile

C9H9NOCAS 25117-74-2147.18 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

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

Identifiers

CAS number
25117-74-2
SMILES
CCOC1=CC=C(C=C1)C#N
InChIKey
PJRLUGQMEZZDIY-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • 4-Ethoxybenzoic acid nitrile

Work with 4-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

4′-Ethoxy[1,1′-biphenyl]-4-carbonitrile58743-78-589 % similar 4-Butoxybenzonitrile5203-14-568 % similar 4′-Propoxy[1,1′-biphenyl]-4-carbonitrile52709-86-166 % similar 4-N-Heptyloxybenzonitrile29147-88-464 % similar 4-(Octyloxy)benzonitrile88374-55-464 % similar 1,4-Diethoxybenzene122-95-263 % similar 3-Ethoxybenzonitrile25117-75-363 % similar 4′-Butoxy[1,1′-biphenyl]-4-carbonitrile52709-87-262 % 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