chempirical

3-Hydroxy-4-methoxybenzonitrile

C8H7NO2CAS 52805-46-6149.15 g/mol

Open in Covalent MOL file
ONHO
EtherNitrilePhenol

Properties

Molecular formula
C8H7NO2
Molar mass
149.15 g/mol
Exact mass
149.0477 Da
Melting point
124 °C
logP
1.27Crippen estimate
Polar surface area
53.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
52805-46-6
SMILES
COc1ccc(C#N)cc1O
InChIKey
ASQHIJLQYYFUDN-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,1H3

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

Names and synonyms

3 names
  • Benzonitrile, 3-hydroxy-4-methoxy-
  • 2-Methoxy-5-cyanophenol
  • 5-Cyano-2-methoxyphenol

Work with 3-Hydroxy-4-methoxybenzonitrile

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-Hydroxy-3-methoxybenzonitrile4421-08-375 % similar 3-Chloro-4-methoxybenzonitrile102151-33-760 % similar 3-Bromo-4-methoxybenzonitrile117572-79-960 % similar 3-Fluoro-4-methoxybenzonitrile331-62-460 % similar 3,4-Dihydroxybenzonitrile17345-61-858 % similar 3-Methoxy-4-methylbenzonitrile3556-60-357 % similar 3-Ethoxy-4-methoxybenzonitrile60758-86-357 % similar 4-Fluoro-3-methoxybenzonitrile243128-37-256 % similar

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

Same formula

4-Nitrostyrene100-13-0 β-Nitrostyrene102-96-5 3-(3-Pyridinyl)-2-propenoic acid1126-74-5 3-Methoxyphenyl isocyanate18908-07-1 trans-3-(3-Pyridyl)acrylic acid19337-97-4 3-Methylbenzo[D]oxazol-2(3H)-one21892-80-8 5,6-Dihydroxyindole3131-52-0 5-Hydroxyoxindole3416-18-0

Elsewhere

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