(2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one

C11H13NO3 — CID 24972949

IUPAC(2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one
SMILESCCOC/C(=N\O)C(=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-2-15-8-10(12-14)11(13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3/b12-10+
InChIKeyRUZOCJVFBASYQX-ZRDIBKRKSA-N
MW207.23 g/mol
LogP1.74
Rot. Bonds5

About (2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one

(2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one (PubChem CID 24972949) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one
PubChem CID24972949
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one
SMILESCCOC/C(=N\O)C(=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-2-15-8-10(12-14)11(13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3/b12-10+
InChIKeyRUZOCJVFBASYQX-ZRDIBKRKSA-N
XLogP1.74
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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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Related Compounds

1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
2-hydroxyimino-1-phenylhexan-1-one
CID 71332647
1-[2-(2-ethoxyacetyl)phenyl]-2-phenylethane-1,2-dione
CID 141052771
ethyl N-hydroxy-2-oxo-2-phenylethanimidate
CID 163663046
ethoxyethane benzoate
CID 22178435
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (2Z,4Z)-2,4-bis(hydroxyimino)-4-phenylbutanoate
CID 139266120
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950

Frequently Asked Questions

What is the IUPAC name of (2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one?
The IUPAC name of (2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one (CID 24972949) is (2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one.
What is the SMILES notation for (2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one?
The canonical SMILES for (2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one is CCOC/C(=N\O)C(=O)c1ccccc1.
What is the InChIKey of (2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one?
The InChIKey is RUZOCJVFBASYQX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-15-8-10(12-14)11(13)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3/b12-10+.
What are the key properties of (2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one?
(2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one has a molecular weight of 207.23 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one is sourced from PubChem (CID 24972949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).