chloro ethyl methyl phosphate

C3H8ClO4P — CID 20555758

IUPACchloro ethyl methyl phosphate
SMILESCCOP(=O)(OC)OCl
InChIInChI=1S/C3H8ClO4P/c1-3-7-9(5,6-2)8-4/h3H2,1-2H3
InChIKeyOEMPWXWHXSXMTE-UHFFFAOYSA-N
MW174.52 g/mol
LogP1.95
Rot. Bonds4

About chloro ethyl methyl phosphate

chloro ethyl methyl phosphate (PubChem CID 20555758) has the molecular formula C3H8ClO4P and a molecular weight of 174.52 g/mol. Its IUPAC name is chloro ethyl methyl phosphate.

Molecular Properties

Compound Namechloro ethyl methyl phosphate
PubChem CID20555758
Molecular FormulaC3H8ClO4P
Molecular Weight174.52 g/mol
Exact Mass173.98
IUPAC Namechloro ethyl methyl phosphate
SMILESCCOP(=O)(OC)OCl
InChIInChI=1S/C3H8ClO4P/c1-3-7-9(5,6-2)8-4/h3H2,1-2H3
InChIKeyOEMPWXWHXSXMTE-UHFFFAOYSA-N
XLogP1.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.52
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro ethyl methyl phosphate?
The IUPAC name of chloro ethyl methyl phosphate (CID 20555758) is chloro ethyl methyl phosphate.
What is the SMILES notation for chloro ethyl methyl phosphate?
The canonical SMILES for chloro ethyl methyl phosphate is CCOP(=O)(OC)OCl.
What is the InChIKey of chloro ethyl methyl phosphate?
The InChIKey is OEMPWXWHXSXMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClO4P/c1-3-7-9(5,6-2)8-4/h3H2,1-2H3.
What are the key properties of chloro ethyl methyl phosphate?
chloro ethyl methyl phosphate has a molecular weight of 174.52 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro ethyl methyl phosphate is sourced from PubChem (CID 20555758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).