2,3-dichloroprop-2-enyl methyl hydrogen phosphate

C4H7Cl2O4P — CID 54442450

IUPAC2,3-dichloroprop-2-enyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OCC(Cl)=CCl
InChIInChI=1S/C4H7Cl2O4P/c1-9-11(7,8)10-3-4(6)2-5/h2H,3H2,1H3,(H,7,8)
InChIKeyWPCBJPIBNLJDJL-UHFFFAOYSA-N
MW220.98 g/mol
LogP2.07
Rot. Bonds4

About 2,3-dichloroprop-2-enyl methyl hydrogen phosphate

2,3-dichloroprop-2-enyl methyl hydrogen phosphate (PubChem CID 54442450) has the molecular formula C4H7Cl2O4P and a molecular weight of 220.98 g/mol. Its IUPAC name is 2,3-dichloroprop-2-enyl methyl hydrogen phosphate.

Molecular Properties

Compound Name2,3-dichloroprop-2-enyl methyl hydrogen phosphate
PubChem CID54442450
Molecular FormulaC4H7Cl2O4P
Molecular Weight220.98 g/mol
Exact Mass219.95
IUPAC Name2,3-dichloroprop-2-enyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OCC(Cl)=CCl
InChIInChI=1S/C4H7Cl2O4P/c1-9-11(7,8)10-3-4(6)2-5/h2H,3H2,1H3,(H,7,8)
InChIKeyWPCBJPIBNLJDJL-UHFFFAOYSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.98
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloroprop-2-enyl methyl hydrogen phosphate?
The IUPAC name of 2,3-dichloroprop-2-enyl methyl hydrogen phosphate (CID 54442450) is 2,3-dichloroprop-2-enyl methyl hydrogen phosphate.
What is the SMILES notation for 2,3-dichloroprop-2-enyl methyl hydrogen phosphate?
The canonical SMILES for 2,3-dichloroprop-2-enyl methyl hydrogen phosphate is COP(=O)(O)OCC(Cl)=CCl.
What is the InChIKey of 2,3-dichloroprop-2-enyl methyl hydrogen phosphate?
The InChIKey is WPCBJPIBNLJDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2O4P/c1-9-11(7,8)10-3-4(6)2-5/h2H,3H2,1H3,(H,7,8).
What are the key properties of 2,3-dichloroprop-2-enyl methyl hydrogen phosphate?
2,3-dichloroprop-2-enyl methyl hydrogen phosphate has a molecular weight of 220.98 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloroprop-2-enyl methyl hydrogen phosphate is sourced from PubChem (CID 54442450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).