chempirical

2-Hydroxy-3-methoxyphenylacetonitrile

C9H9NO2CAS 42973-56-8163.18 g/mol

Open in Covalent MOL file
ONHO
EtherNitrilePhenol

Properties

Molecular formula
C9H9NO2
Molar mass
163.18 g/mol
Exact mass
163.0633 Da
logP
1.47Crippen estimate
Polar surface area
53.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
42973-56-8
SMILES
COc1cccc(CC#N)c1O
InChIKey
HGPGOFBJMBBPAX-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO2/c1-12-8-4-2-3-7(5-6-10)9(8)11/h2-4,11H,5H2,1H3

Weigh it out

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Names and synonyms

5 names
  • 2-Hydroxy-3-methoxybenzeneacetonitrile
  • Benzeneacetonitrile, 2-hydroxy-3-methoxy-
  • (2-Hydroxy-3-methoxyphenyl)acetonitrile
  • NSC 291918
  • 2-(2-Hydroxy-3-methoxyphenyl)acetonitrile

Work with 2-Hydroxy-3-methoxyphenylacetonitrile

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-Methoxybenzeneacetonitrile7035-03-270 % similar 2-Hydroxy-3-methoxybenzenemethanol4383-05-561 % similar Syringol91-10-156 % similar 4-Hydroxy-3,5-dimethoxybenzeneacetonitrile42973-55-755 % similar O-Eugenol579-60-255 % similar (4-Hydroxy-3-methoxyphenyl)acetonitrile4468-59-151 % similar 2,5-Dimethoxyphenylacetonitrile18086-24-350 % similar 3-Methoxycatechol934-00-950 % 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 2-Hydroxy-7,8-dihydro-5(6H)-quinolinone15450-69-8 (±)-Indoline-2-carboxylic acid16851-56-2 2,6-Dimethoxybenzonitrile16932-49-3 2,5-Dimethyl-β-oxo-3-furanpropanenitrile175276-62-7

Elsewhere

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