chempirical

4-Hydroxybenzenepropanenitrile

C9H9NOCAS 17362-17-3147.18 g/mol

Open in Covalent MOL file
NOH
NitrilePhenol

Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
Melting point
58–59 °C
Boiling point
157–163 °C (at 1 Torr)
logP
1.85Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
17362-17-3
SMILES
N#CCCc1ccc(O)cc1
InChIKey
KDMJGLYRWRHKJS-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,11H,1-2H2

Weigh it out

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

Names and synonyms

11 names
  • Benzenepropanenitrile, 4-hydroxy-
  • Hydrocinnamonitrile, p-hydroxy-
  • p-(2-Cyanoethyl)phenol
  • 3-(4-Hydroxyphenyl)propionitrile
  • 4-(2-Cyanoethyl)phenol
  • 4-Hydroxyhydrocinnamonitrile
  • 3-(p-Hydroxyphenyl)propionitrile
  • β-(p-Hydroxyphenyl)propionitrile
  • β-(4-Hydroxyphenyl)propionitrile
  • NSC 163340
  • 3-(4-Hydroxyphenyl)propanenitrile

Work with 4-Hydroxybenzenepropanenitrile

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-Hydroxybenzyl cyanide14191-95-865 % similar Benzenepropanenitrile645-59-060 % similar 4-Methoxybenzenepropanenitrile22442-48-452 % similar 3-(4-Hydroxyphenyl)-1-propanol10210-17-050 % similar 4-Butylphenol1638-22-848 % similar Tyrosol501-94-048 % similar Bisphenol F620-92-848 % similar 4-Pentylphenol14938-35-347 % 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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