2-hydroxyimino-2-phenylethanol

C8H9NO2 — CID 57373391

IUPAC2-hydroxyimino-2-phenylethanol
SMILESOCC(=NO)c1ccccc1
InChIInChI=1S/C8H9NO2/c10-6-8(9-11)7-4-2-1-3-5-7/h1-5,10-11H,6H2
InChIKeyJXEHBRQVIPIGRN-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.86
Rot. Bonds2

About 2-hydroxyimino-2-phenylethanol

2-hydroxyimino-2-phenylethanol (PubChem CID 57373391) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-hydroxyimino-2-phenylethanol.

Molecular Properties

Compound Name2-hydroxyimino-2-phenylethanol
PubChem CID57373391
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-hydroxyimino-2-phenylethanol
SMILESOCC(=NO)c1ccccc1
InChIInChI=1S/C8H9NO2/c10-6-8(9-11)7-4-2-1-3-5-7/h1-5,10-11H,6H2
InChIKeyJXEHBRQVIPIGRN-UHFFFAOYSA-N
XLogP0.86
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-2-phenylethanol?
The IUPAC name of 2-hydroxyimino-2-phenylethanol (CID 57373391) is 2-hydroxyimino-2-phenylethanol.
What is the SMILES notation for 2-hydroxyimino-2-phenylethanol?
The canonical SMILES for 2-hydroxyimino-2-phenylethanol is OCC(=NO)c1ccccc1.
What is the InChIKey of 2-hydroxyimino-2-phenylethanol?
The InChIKey is JXEHBRQVIPIGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-6-8(9-11)7-4-2-1-3-5-7/h1-5,10-11H,6H2.
What are the key properties of 2-hydroxyimino-2-phenylethanol?
2-hydroxyimino-2-phenylethanol has a molecular weight of 151.16 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-2-phenylethanol is sourced from PubChem (CID 57373391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).