1-hydroxyimino-1-phenylpropan-2-ol

C9H11NO2 — CID 71328503

IUPAC1-hydroxyimino-1-phenylpropan-2-ol
SMILESCC(O)C(=NO)c1ccccc1
InChIInChI=1S/C9H11NO2/c1-7(11)9(10-12)8-5-3-2-4-6-8/h2-7,11-12H,1H3
InChIKeyDSLXSOONLYUGST-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.25
Rot. Bonds2

About 1-hydroxyimino-1-phenylpropan-2-ol

1-hydroxyimino-1-phenylpropan-2-ol (PubChem CID 71328503) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-hydroxyimino-1-phenylpropan-2-ol.

Molecular Properties

Compound Name1-hydroxyimino-1-phenylpropan-2-ol
PubChem CID71328503
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-hydroxyimino-1-phenylpropan-2-ol
SMILESCC(O)C(=NO)c1ccccc1
InChIInChI=1S/C9H11NO2/c1-7(11)9(10-12)8-5-3-2-4-6-8/h2-7,11-12H,1H3
InChIKeyDSLXSOONLYUGST-UHFFFAOYSA-N
XLogP1.25
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.25
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 1-hydroxyimino-1-phenylpropan-2-ol?
The IUPAC name of 1-hydroxyimino-1-phenylpropan-2-ol (CID 71328503) is 1-hydroxyimino-1-phenylpropan-2-ol.
What is the SMILES notation for 1-hydroxyimino-1-phenylpropan-2-ol?
The canonical SMILES for 1-hydroxyimino-1-phenylpropan-2-ol is CC(O)C(=NO)c1ccccc1.
What is the InChIKey of 1-hydroxyimino-1-phenylpropan-2-ol?
The InChIKey is DSLXSOONLYUGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(11)9(10-12)8-5-3-2-4-6-8/h2-7,11-12H,1H3.
What are the key properties of 1-hydroxyimino-1-phenylpropan-2-ol?
1-hydroxyimino-1-phenylpropan-2-ol has a molecular weight of 165.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyimino-1-phenylpropan-2-ol is sourced from PubChem (CID 71328503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).