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

C₁₁H₁₃NO₃ — CID 24972949

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 CID: 24972949
• Molecular Formula: C₁₁H₁₃NO₃
• Molecular Weight: 207.23 g/mol
• Exact Mass: 207.09
• IUPAC Name: (2E)-3-ethoxy-2-hydroxyimino-1-phenylpropan-1-one
• SMILES: CCOC/C(=N\O)C(=O)c1ccccc1
• InChI: 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+
• InChIKey: RUZOCJVFBASYQX-ZRDIBKRKSA-N
• XLogP: 1.74
• TPSA: 58.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	207.23
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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'}

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).

Sources

• PubChem CID 24972949 — identifiers, structure, computed properties (public domain)

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