1-chloro-2-dimethoxyphosphorylethene

C4H8ClO3P — CID 71392940

IUPAC1-chloro-2-dimethoxyphosphorylethene
SMILESCOP(=O)(C=CCl)OC
InChIInChI=1S/C4H8ClO3P/c1-7-9(6,8-2)4-3-5/h3-4H,1-2H3
InChIKeyOABSNALHZWAZPD-UHFFFAOYSA-N
MW170.53 g/mol
LogP2.18
Rot. Bonds3

About 1-chloro-2-dimethoxyphosphorylethene

1-chloro-2-dimethoxyphosphorylethene (PubChem CID 71392940) has the molecular formula C4H8ClO3P and a molecular weight of 170.53 g/mol. Its IUPAC name is 1-chloro-2-dimethoxyphosphorylethene.

Molecular Properties

Compound Name1-chloro-2-dimethoxyphosphorylethene
PubChem CID71392940
Molecular FormulaC4H8ClO3P
Molecular Weight170.53 g/mol
Exact Mass169.99
IUPAC Name1-chloro-2-dimethoxyphosphorylethene
SMILESCOP(=O)(C=CCl)OC
InChIInChI=1S/C4H8ClO3P/c1-7-9(6,8-2)4-3-5/h3-4H,1-2H3
InChIKeyOABSNALHZWAZPD-UHFFFAOYSA-N
XLogP2.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.53
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-chloro-2-dimethoxyphosphorylethene 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-chloro-2-dimethoxyphosphorylethene?
The IUPAC name of 1-chloro-2-dimethoxyphosphorylethene (CID 71392940) is 1-chloro-2-dimethoxyphosphorylethene.
What is the SMILES notation for 1-chloro-2-dimethoxyphosphorylethene?
The canonical SMILES for 1-chloro-2-dimethoxyphosphorylethene is COP(=O)(C=CCl)OC.
What is the InChIKey of 1-chloro-2-dimethoxyphosphorylethene?
The InChIKey is OABSNALHZWAZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClO3P/c1-7-9(6,8-2)4-3-5/h3-4H,1-2H3.
What are the key properties of 1-chloro-2-dimethoxyphosphorylethene?
1-chloro-2-dimethoxyphosphorylethene has a molecular weight of 170.53 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-dimethoxyphosphorylethene is sourced from PubChem (CID 71392940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).