chempirical

2,5-Dimethoxybenzonitrile

C9H9NO2CAS 5312-97-0163.18 g/mol

Open in Covalent MOL file
OON
EtherNitrile

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
Melting point
64–65 °C
logP
1.58Crippen estimate
Polar surface area
42.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
5312-97-0
SMILES
COc1ccc(OC)c(C#N)c1
InChIKey
HWAMEJIMXIXLIH-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5H,1-2H3

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Names and synonyms

4 names
  • Benzonitrile, 2,5-dimethoxy-
  • 2-Cyano-4-methoxyanisole
  • NSC 27019
  • 2,5-Dimethoxyphenyl cyanide

Work with 2,5-Dimethoxybenzonitrile

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

2,4-Dimethoxybenzonitrile4107-65-773 % similar 2-Fluoro-5-methoxybenzonitrile127667-01-064 % similar 5-Bromo-2-methoxybenzonitrile144649-99-064 % similar 5-Fluoro-2-methoxybenzonitrile189628-38-464 % similar 5-Chloro-2-methoxybenzonitrile55877-79-764 % similar 2-Methoxybenzonitrile6609-56-960 % similar 2-Fluoro-4-methoxybenzonitrile94610-82-959 % similar 1,2,4-Trimethoxybenzene135-77-355 % similar

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

Same formula

2,6-Diacetylpyridine1129-30-2 1-Phenyl-1,2-propanedione 2-oxime119-51-7 4-Acetamidobenzaldehyde122-85-0 (3R,4S)-3-Hydroxy-4-phenyl-2-azetidinone132127-34-5 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7 3,5-Dimethoxybenzonitrile19179-31-8

Elsewhere

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