(1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride

C12H17ClNO4P — CID 15317378

IUPAC(1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride
SMILESCCOP(=O)(OCC)C(/C(Cl)=N/O)c1ccccc1
InChIInChI=1S/C12H17ClNO4P/c1-3-17-19(16,18-4-2)11(12(13)14-15)10-8-6-5-7-9-10/h5-9,11,15H,3-4H2,1-2H3/b14-12-
InChIKeyWWECVDPDAZLWJX-OWBHPGMISA-N
MW305.70 g/mol
LogP4.02
Rot. Bonds7

About (1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride

(1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride (PubChem CID 15317378) has the molecular formula C12H17ClNO4P and a molecular weight of 305.70 g/mol. Its IUPAC name is (1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride
PubChem CID15317378
Molecular FormulaC12H17ClNO4P
Molecular Weight305.70 g/mol
Exact Mass305.06
IUPAC Name(1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride
SMILESCCOP(=O)(OCC)C(/C(Cl)=N/O)c1ccccc1
InChIInChI=1S/C12H17ClNO4P/c1-3-17-19(16,18-4-2)11(12(13)14-15)10-8-6-5-7-9-10/h5-9,11,15H,3-4H2,1-2H3/b14-12-
InChIKeyWWECVDPDAZLWJX-OWBHPGMISA-N
XLogP4.02
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.70
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride?
The IUPAC name of (1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride (CID 15317378) is (1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride.
What is the SMILES notation for (1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride?
The canonical SMILES for (1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride is CCOP(=O)(OCC)C(/C(Cl)=N/O)c1ccccc1.
What is the InChIKey of (1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride?
The InChIKey is WWECVDPDAZLWJX-OWBHPGMISA-N. The full InChI is InChI=1S/C12H17ClNO4P/c1-3-17-19(16,18-4-2)11(12(13)14-15)10-8-6-5-7-9-10/h5-9,11,15H,3-4H2,1-2H3/b14-12-.
What are the key properties of (1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride?
(1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride has a molecular weight of 305.70 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-diethoxyphosphoryl-N-hydroxy-2-phenylethanimidoyl chloride is sourced from PubChem (CID 15317378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).