1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium

C3H4Cl2O3P+ — CID 88832854

IUPAC1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium
SMILESCC(O[P+](=O)O)=C(Cl)Cl
InChIInChI=1S/C3H3Cl2O3P/c1-2(3(4)5)8-9(6)7/h1H3/p+1
InChIKeyUFMPETJXOHITMX-UHFFFAOYSA-O
MW189.94 g/mol
LogP2.32
Rot. Bonds2

About 1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium

1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium (PubChem CID 88832854) has the molecular formula C3H4Cl2O3P+ and a molecular weight of 189.94 g/mol. Its IUPAC name is 1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium
PubChem CID88832854
Molecular FormulaC3H4Cl2O3P+
Molecular Weight189.94 g/mol
Exact Mass188.93
IUPAC Name1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium
SMILESCC(O[P+](=O)O)=C(Cl)Cl
InChIInChI=1S/C3H3Cl2O3P/c1-2(3(4)5)8-9(6)7/h1H3/p+1
InChIKeyUFMPETJXOHITMX-UHFFFAOYSA-O
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.94
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium?
The IUPAC name of 1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium (CID 88832854) is 1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium.
What is the SMILES notation for 1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium?
The canonical SMILES for 1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium is CC(O[P+](=O)O)=C(Cl)Cl.
What is the InChIKey of 1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium?
The InChIKey is UFMPETJXOHITMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H3Cl2O3P/c1-2(3(4)5)8-9(6)7/h1H3/p+1.
What are the key properties of 1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium?
1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium has a molecular weight of 189.94 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroprop-1-en-2-yloxy-hydroxy-oxophosphanium is sourced from PubChem (CID 88832854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).