2-chloro-2-dimethoxyphosphorylethenol

C4H8ClO4P — CID 71323989

IUPAC2-chloro-2-dimethoxyphosphorylethenol
SMILESCOP(=O)(OC)C(Cl)=CO
InChIInChI=1S/C4H8ClO4P/c1-8-10(7,9-2)4(5)3-6/h3,6H,1-2H3
InChIKeyONPBBWQFZLRRMY-UHFFFAOYSA-N
MW186.53 g/mol
LogP2.07
Rot. Bonds3

About 2-chloro-2-dimethoxyphosphorylethenol

2-chloro-2-dimethoxyphosphorylethenol (PubChem CID 71323989) has the molecular formula C4H8ClO4P and a molecular weight of 186.53 g/mol. Its IUPAC name is 2-chloro-2-dimethoxyphosphorylethenol.

Molecular Properties

Compound Name2-chloro-2-dimethoxyphosphorylethenol
PubChem CID71323989
Molecular FormulaC4H8ClO4P
Molecular Weight186.53 g/mol
Exact Mass185.98
IUPAC Name2-chloro-2-dimethoxyphosphorylethenol
SMILESCOP(=O)(OC)C(Cl)=CO
InChIInChI=1S/C4H8ClO4P/c1-8-10(7,9-2)4(5)3-6/h3,6H,1-2H3
InChIKeyONPBBWQFZLRRMY-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.53
LogP ≤ 52.07
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'}

Analyze 2-chloro-2-dimethoxyphosphorylethenol 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 2-chloro-2-dimethoxyphosphorylethenol?
The IUPAC name of 2-chloro-2-dimethoxyphosphorylethenol (CID 71323989) is 2-chloro-2-dimethoxyphosphorylethenol.
What is the SMILES notation for 2-chloro-2-dimethoxyphosphorylethenol?
The canonical SMILES for 2-chloro-2-dimethoxyphosphorylethenol is COP(=O)(OC)C(Cl)=CO.
What is the InChIKey of 2-chloro-2-dimethoxyphosphorylethenol?
The InChIKey is ONPBBWQFZLRRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClO4P/c1-8-10(7,9-2)4(5)3-6/h3,6H,1-2H3.
What are the key properties of 2-chloro-2-dimethoxyphosphorylethenol?
2-chloro-2-dimethoxyphosphorylethenol has a molecular weight of 186.53 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-dimethoxyphosphorylethenol is sourced from PubChem (CID 71323989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).