3-(p-Hydroxyphenyl)propiononitrile

C₉H₉NOCAS 17362-17-3147.18 g/mol

Open in Covalent MOL file

Nitrile Phenol

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed80% of notifiers
H312 Harmful in contact with skin80% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled80% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

12 names

4-Hydroxybenzenepropanenitrile
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 3-(p-Hydroxyphenyl)propiononitrile

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 3-(4-Bromophenyl)propionitrile57775-08-363 % 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

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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