4-(2-hydroxyethyl)benzonitrile

C9H9NO — CID 2800815

IUPAC4-(2-hydroxyethyl)benzonitrile
SMILESN#Cc1ccc(CCO)cc1
InChIInChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2
InChIKeyRBSJBNYPTGMZIH-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.09
Rot. Bonds2

About 4-(2-hydroxyethyl)benzonitrile

4-(2-hydroxyethyl)benzonitrile (PubChem CID 2800815) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)benzonitrile.

Molecular Properties

Compound Name4-(2-hydroxyethyl)benzonitrile
PubChem CID2800815
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name4-(2-hydroxyethyl)benzonitrile
SMILESN#Cc1ccc(CCO)cc1
InChIInChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2
InChIKeyRBSJBNYPTGMZIH-UHFFFAOYSA-N
XLogP1.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-hydroxyethyl)phenyl]acetonitrile
CID 22337092
2-(4-cyanophenyl)ethylboronic acid
CID 130141908
3-(2-hydroxyethyl)benzonitrile
CID 14926727
4-but-3-enylbenzonitrile;4-(4-hydroxybutyl)benzonitrile
CID 160955295
4-(3-cyanopropyl)benzonitrile
CID 83927462
4-(3-hydroxybutyl)benzonitrile
CID 115110861
4-amino-3-[4-(2-hydroxyethyl)anilino]benzonitrile
CID 141052582
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[2-[4-(hydroxymethyl)phenyl]ethylamino]benzonitrile
CID 133455339
3-(4-cyanophenyl)propanoic acid;ethane
CID 143422626
4-(8-phenyloctyl)benzonitrile
CID 21257462
4-[4-(2-sulfanylethyl)phenyl]benzonitrile
CID 101455253

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)benzonitrile?
The IUPAC name of 4-(2-hydroxyethyl)benzonitrile (CID 2800815) is 4-(2-hydroxyethyl)benzonitrile.
What is the SMILES notation for 4-(2-hydroxyethyl)benzonitrile?
The canonical SMILES for 4-(2-hydroxyethyl)benzonitrile is N#Cc1ccc(CCO)cc1.
What is the InChIKey of 4-(2-hydroxyethyl)benzonitrile?
The InChIKey is RBSJBNYPTGMZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2.
What are the key properties of 4-(2-hydroxyethyl)benzonitrile?
4-(2-hydroxyethyl)benzonitrile has a molecular weight of 147.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)benzonitrile is sourced from PubChem (CID 2800815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).