chempirical

4-Methoxy-1-naphthalenecarbonitrile

C12H9NOCAS 5961-55-7183.21 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C12H9NO
Molar mass
183.21 g/mol
Exact mass
183.0684 Da
Melting point
104 °C
logP
2.72Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
5961-55-7
SMILES
COc1ccc(C#N)c2ccccc12
InChIKey
FRCZUGOIGNQOID-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO/c1-14-12-7-6-9(8-13)10-4-2-3-5-11(10)12/h2-7H,1H3

Weigh it out

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

Names and synonyms

4 names
  • 1-Naphthalenecarbonitrile, 4-methoxy-
  • 1-Naphthonitrile, 4-methoxy-
  • 1-Cyano-4-methoxynaphthalene
  • 4-Methoxy-1-naphthonitrile

Work with 4-Methoxy-1-naphthalenecarbonitrile

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

1,4-Dimethoxynaphthalene10075-62-465 % similar 2-Methoxybenzonitrile6609-56-960 % similar 2,3,4-Trimethoxybenzonitrile43020-38-859 % similar 2,3-Difluoro-4-methoxybenzonitrile256417-12-656 % similar 2,5-Dimethoxybenzonitrile5312-97-053 % similar 2,3-Dimethoxybenzonitrile5653-62-353 % similar 2-Chloro-3,4-dimethoxybenzonitrile119413-61-553 % similar 1-Bromo-4-methoxynaphthalene5467-58-352 % similar

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

Same formula

4-(Pyridin-3-yl)benzaldehyde127406-55-7 4-(2-Pyridinyl)benzaldehyde127406-56-8 3-(3-Pyridyl)benzaldehyde131231-24-8 Phenoxazine135-67-1 4-Benzoylpyridine14548-46-0 2-(4-Pyridinyl)benzaldehyde176526-00-4 2-Methylnaphth[2,3-D]oxazole20686-66-2 3-Dibenzofuranamine4106-66-5

Elsewhere

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