chempirical

3-Methoxy-4-methylbenzonitrile

C9H9NOCAS 3556-60-3147.18 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
51–52.5 °C
logP
1.88Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
3556-60-3
SMILES
COc1cc(C#N)ccc1C
InChIKey
QLJZMAGXHHXXMS-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c1-7-3-4-8(6-10)5-9(7)11-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Benzonitrile, 3-methoxy-4-methyl-
  • m-Anisonitrile, 4-methyl-
  • 3-Methoxy-4-methylcyanobenzene
  • 4-Methyl-3-methoxybenzonitrile

Work with 3-Methoxy-4-methylbenzonitrile

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-Fluoro-3-methoxybenzonitrile243128-37-262 % similar 4-Hydroxy-3-methoxybenzonitrile4421-08-362 % similar 3,4-Dimethylbenzonitrile22884-95-360 % similar 3-Ethoxy-4-methoxybenzonitrile60758-86-358 % similar 3-Chloro-4-methoxybenzonitrile102151-33-757 % similar 3-Bromo-4-methoxybenzonitrile117572-79-957 % similar 3-Fluoro-4-methoxybenzonitrile331-62-457 % similar 3-Hydroxy-4-methoxybenzonitrile52805-46-657 % 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

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