1-phenyl-2-(propan-2-ylideneamino)oxyethanol

C11H15NO2 — CID 3056709

IUPAC1-phenyl-2-(propan-2-ylideneamino)oxyethanol
SMILESCC(C)=NOCC(O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(2)12-14-8-11(13)10-6-4-3-5-7-10/h3-7,11,13H,8H2,1-2H3
InChIKeyVTTGYMYSMCCTKS-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.13
Rot. Bonds4

About 1-phenyl-2-(propan-2-ylideneamino)oxyethanol

1-phenyl-2-(propan-2-ylideneamino)oxyethanol (PubChem CID 3056709) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-phenyl-2-(propan-2-ylideneamino)oxyethanol.

Molecular Properties

Compound Name1-phenyl-2-(propan-2-ylideneamino)oxyethanol
PubChem CID3056709
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-phenyl-2-(propan-2-ylideneamino)oxyethanol
SMILESCC(C)=NOCC(O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(2)12-14-8-11(13)10-6-4-3-5-7-10/h3-7,11,13H,8H2,1-2H3
InChIKeyVTTGYMYSMCCTKS-UHFFFAOYSA-N
XLogP2.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-phenyl-2-(propan-2-ylideneamino)oxyethanol?
The IUPAC name of 1-phenyl-2-(propan-2-ylideneamino)oxyethanol (CID 3056709) is 1-phenyl-2-(propan-2-ylideneamino)oxyethanol.
What is the SMILES notation for 1-phenyl-2-(propan-2-ylideneamino)oxyethanol?
The canonical SMILES for 1-phenyl-2-(propan-2-ylideneamino)oxyethanol is CC(C)=NOCC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(propan-2-ylideneamino)oxyethanol?
The InChIKey is VTTGYMYSMCCTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(2)12-14-8-11(13)10-6-4-3-5-7-10/h3-7,11,13H,8H2,1-2H3.
What are the key properties of 1-phenyl-2-(propan-2-ylideneamino)oxyethanol?
1-phenyl-2-(propan-2-ylideneamino)oxyethanol has a molecular weight of 193.25 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(propan-2-ylideneamino)oxyethanol is sourced from PubChem (CID 3056709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).