4-(2-Hydroxyethyl)benzonitrile

C₉H₉NOCAS 69395-13-7147.18 g/mol

Open in Covalent MOL file

Alcohol Nitrile

Properties

Molecular formula: C₉H₉NO
Molar mass: 147.18 g/mol
Exact mass: 147.0684 Da
logP: 1.09Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
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

69395-13-7

SMILES

C1=CC(=CC=C1CCO)C#N

InChIKey

RBSJBNYPTGMZIH-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2

Weigh it out

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

Work with 4-(2-Hydroxyethyl)benzonitrile

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

4,4'-(1-Methylene) bis-benzonitrile10466-37-270 % similar 4-(Hydroxymethyl)benzonitrile874-89-564 % similar 4-Butylbenzonitrile20651-73-457 % similar 1,4-Dicyanobenzene623-26-757 % similar 4-Cyanobenzylamine10406-25-456 % similar 4-Cyanobenzyl bromide17201-43-356 % similar 4-Ethylbenzonitrile25309-65-356 % similar 4-Cyanobenzyl chloride874-86-256 % 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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