2-[4-(2-hydroxyethyl)phenyl]acetonitrile

C10H11NO — CID 22337092

IUPAC2-[4-(2-hydroxyethyl)phenyl]acetonitrile
SMILESN#CCc1ccc(CCO)cc1
InChIInChI=1S/C10H11NO/c11-7-5-9-1-3-10(4-2-9)6-8-12/h1-4,12H,5-6,8H2
InChIKeyWBSWDBBBFOPISO-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.29
Rot. Bonds3

About 2-[4-(2-hydroxyethyl)phenyl]acetonitrile

2-[4-(2-hydroxyethyl)phenyl]acetonitrile (PubChem CID 22337092) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)phenyl]acetonitrile
PubChem CID22337092
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-[4-(2-hydroxyethyl)phenyl]acetonitrile
SMILESN#CCc1ccc(CCO)cc1
InChIInChI=1S/C10H11NO/c11-7-5-9-1-3-10(4-2-9)6-8-12/h1-4,12H,5-6,8H2
InChIKeyWBSWDBBBFOPISO-UHFFFAOYSA-N
XLogP1.29
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(cyanomethyl)phenyl]propanenitrile
CID 55267944
4-(2-hydroxyethyl)benzonitrile
CID 2800815
2-(4-hydroxyphenyl)acetonitrile
CID 26548
acetonitrile;2-(4-bromophenyl)ethanol;ethane
CID 162439608
ethanol;2-phenylacetonitrile
CID 70378956
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
ethane;2-(4-ethylphenyl)acetonitrile
CID 143828452
2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile
CID 82135676
2-[4-(3-methoxy-3-methylbutyl)phenyl]acetonitrile
CID 115110938
2-[4-(2-amino-2-hydroxyethyl)phenyl]acetonitrile
CID 70614226
3-[4-(hydroxymethyl)phenyl]propanenitrile
CID 84764367
[4-[4-(cyanomethyl)phenyl]phenyl]boronic acid
CID 163815966

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(2-hydroxyethyl)phenyl]acetonitrile (CID 22337092) is 2-[4-(2-hydroxyethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(2-hydroxyethyl)phenyl]acetonitrile is N#CCc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)phenyl]acetonitrile?
The InChIKey is WBSWDBBBFOPISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c11-7-5-9-1-3-10(4-2-9)6-8-12/h1-4,12H,5-6,8H2.
What are the key properties of 2-[4-(2-hydroxyethyl)phenyl]acetonitrile?
2-[4-(2-hydroxyethyl)phenyl]acetonitrile has a molecular weight of 161.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)phenyl]acetonitrile is sourced from PubChem (CID 22337092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).