2-[2-(1-hydroxyethyl)phenyl]propanenitrile

C11H13NO — CID 19377147

IUPAC2-[2-(1-hydroxyethyl)phenyl]propanenitrile
SMILESCC(O)c1ccccc1C(C)C#N
InChIInChI=1S/C11H13NO/c1-8(7-12)10-5-3-4-6-11(10)9(2)13/h3-6,8-9,13H,1-2H3
InChIKeyXSLOFIMXYYXMFV-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.37
Rot. Bonds2

About 2-[2-(1-hydroxyethyl)phenyl]propanenitrile

2-[2-(1-hydroxyethyl)phenyl]propanenitrile (PubChem CID 19377147) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)phenyl]propanenitrile.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)phenyl]propanenitrile
PubChem CID19377147
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-[2-(1-hydroxyethyl)phenyl]propanenitrile
SMILESCC(O)c1ccccc1C(C)C#N
InChIInChI=1S/C11H13NO/c1-8(7-12)10-5-3-4-6-11(10)9(2)13/h3-6,8-9,13H,1-2H3
InChIKeyXSLOFIMXYYXMFV-UHFFFAOYSA-N
XLogP2.37
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)phenyl]propanenitrile?
The IUPAC name of 2-[2-(1-hydroxyethyl)phenyl]propanenitrile (CID 19377147) is 2-[2-(1-hydroxyethyl)phenyl]propanenitrile.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)phenyl]propanenitrile?
The canonical SMILES for 2-[2-(1-hydroxyethyl)phenyl]propanenitrile is CC(O)c1ccccc1C(C)C#N.
What is the InChIKey of 2-[2-(1-hydroxyethyl)phenyl]propanenitrile?
The InChIKey is XSLOFIMXYYXMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8(7-12)10-5-3-4-6-11(10)9(2)13/h3-6,8-9,13H,1-2H3.
What are the key properties of 2-[2-(1-hydroxyethyl)phenyl]propanenitrile?
2-[2-(1-hydroxyethyl)phenyl]propanenitrile has a molecular weight of 175.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)phenyl]propanenitrile is sourced from PubChem (CID 19377147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).