2-hydroxyacetonitrile;phenol

C8H9NO2 — CID 174534012

IUPAC2-hydroxyacetonitrile;phenol
SMILESN#CCO.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H3NO/c7-6-4-2-1-3-5-6;3-1-2-4/h1-5,7H;4H,2H2
InChIKeySKNARANOARMJPM-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.89
Rot. Bonds

About 2-hydroxyacetonitrile;phenol

2-hydroxyacetonitrile;phenol (PubChem CID 174534012) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-hydroxyacetonitrile;phenol.

Molecular Properties

Compound Name2-hydroxyacetonitrile;phenol
PubChem CID174534012
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-hydroxyacetonitrile;phenol
SMILESN#CCO.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H3NO/c7-6-4-2-1-3-5-6;3-1-2-4/h1-5,7H;4H,2H2
InChIKeySKNARANOARMJPM-UHFFFAOYSA-N
XLogP0.89
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.89
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-hydroxyacetonitrile;phenol?
The IUPAC name of 2-hydroxyacetonitrile;phenol (CID 174534012) is 2-hydroxyacetonitrile;phenol.
What is the SMILES notation for 2-hydroxyacetonitrile;phenol?
The canonical SMILES for 2-hydroxyacetonitrile;phenol is N#CCO.Oc1ccccc1.
What is the InChIKey of 2-hydroxyacetonitrile;phenol?
The InChIKey is SKNARANOARMJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C2H3NO/c7-6-4-2-1-3-5-6;3-1-2-4/h1-5,7H;4H,2H2.
What are the key properties of 2-hydroxyacetonitrile;phenol?
2-hydroxyacetonitrile;phenol has a molecular weight of 151.16 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetonitrile;phenol is sourced from PubChem (CID 174534012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).