2,2-dichloro-1-diethoxyphosphorylethenol

C6H11Cl2O4P — CID 23262902

IUPAC2,2-dichloro-1-diethoxyphosphorylethenol
SMILESCCOP(=O)(OCC)C(O)=C(Cl)Cl
InChIInChI=1S/C6H11Cl2O4P/c1-3-11-13(10,12-4-2)6(9)5(7)8/h9H,3-4H2,1-2H3
InChIKeyUOEWIAIFAHNYLM-UHFFFAOYSA-N
MW249.03 g/mol
LogP3.41
Rot. Bonds5

About 2,2-dichloro-1-diethoxyphosphorylethenol

2,2-dichloro-1-diethoxyphosphorylethenol (PubChem CID 23262902) has the molecular formula C6H11Cl2O4P and a molecular weight of 249.03 g/mol. Its IUPAC name is 2,2-dichloro-1-diethoxyphosphorylethenol.

Molecular Properties

Compound Name2,2-dichloro-1-diethoxyphosphorylethenol
PubChem CID23262902
Molecular FormulaC6H11Cl2O4P
Molecular Weight249.03 g/mol
Exact Mass247.98
IUPAC Name2,2-dichloro-1-diethoxyphosphorylethenol
SMILESCCOP(=O)(OCC)C(O)=C(Cl)Cl
InChIInChI=1S/C6H11Cl2O4P/c1-3-11-13(10,12-4-2)6(9)5(7)8/h9H,3-4H2,1-2H3
InChIKeyUOEWIAIFAHNYLM-UHFFFAOYSA-N
XLogP3.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.03
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-diethoxyphosphorylethenol?
The IUPAC name of 2,2-dichloro-1-diethoxyphosphorylethenol (CID 23262902) is 2,2-dichloro-1-diethoxyphosphorylethenol.
What is the SMILES notation for 2,2-dichloro-1-diethoxyphosphorylethenol?
The canonical SMILES for 2,2-dichloro-1-diethoxyphosphorylethenol is CCOP(=O)(OCC)C(O)=C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-diethoxyphosphorylethenol?
The InChIKey is UOEWIAIFAHNYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2O4P/c1-3-11-13(10,12-4-2)6(9)5(7)8/h9H,3-4H2,1-2H3.
What are the key properties of 2,2-dichloro-1-diethoxyphosphorylethenol?
2,2-dichloro-1-diethoxyphosphorylethenol has a molecular weight of 249.03 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-diethoxyphosphorylethenol is sourced from PubChem (CID 23262902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).