2-hydroxy-4-(2-hydroxyphenyl)butanenitrile

C10H11NO2 — CID 19702741

IUPAC2-hydroxy-4-(2-hydroxyphenyl)butanenitrile
SMILESN#CC(O)CCc1ccccc1O
InChIInChI=1S/C10H11NO2/c11-7-9(12)6-5-8-3-1-2-4-10(8)13/h1-4,9,12-13H,5-6H2
InChIKeyWKONBULSSKTFCB-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.21
Rot. Bonds3

About 2-hydroxy-4-(2-hydroxyphenyl)butanenitrile

2-hydroxy-4-(2-hydroxyphenyl)butanenitrile (PubChem CID 19702741) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-hydroxy-4-(2-hydroxyphenyl)butanenitrile.

Molecular Properties

Compound Name2-hydroxy-4-(2-hydroxyphenyl)butanenitrile
PubChem CID19702741
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-hydroxy-4-(2-hydroxyphenyl)butanenitrile
SMILESN#CC(O)CCc1ccccc1O
InChIInChI=1S/C10H11NO2/c11-7-9(12)6-5-8-3-1-2-4-10(8)13/h1-4,9,12-13H,5-6H2
InChIKeyWKONBULSSKTFCB-UHFFFAOYSA-N
XLogP1.21
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2-hydroxyphenyl)butanenitrile?
The IUPAC name of 2-hydroxy-4-(2-hydroxyphenyl)butanenitrile (CID 19702741) is 2-hydroxy-4-(2-hydroxyphenyl)butanenitrile.
What is the SMILES notation for 2-hydroxy-4-(2-hydroxyphenyl)butanenitrile?
The canonical SMILES for 2-hydroxy-4-(2-hydroxyphenyl)butanenitrile is N#CC(O)CCc1ccccc1O.
What is the InChIKey of 2-hydroxy-4-(2-hydroxyphenyl)butanenitrile?
The InChIKey is WKONBULSSKTFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-7-9(12)6-5-8-3-1-2-4-10(8)13/h1-4,9,12-13H,5-6H2.
What are the key properties of 2-hydroxy-4-(2-hydroxyphenyl)butanenitrile?
2-hydroxy-4-(2-hydroxyphenyl)butanenitrile has a molecular weight of 177.20 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2-hydroxyphenyl)butanenitrile is sourced from PubChem (CID 19702741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).