2-chloroethyl-ethoxy-oxophosphanium

C4H9ClO2P+ — CID 12736532

IUPAC2-chloroethyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)CCCl
InChIInChI=1S/C4H9ClO2P/c1-2-7-8(6)4-3-5/h2-4H2,1H3/q+1
InChIKeyCWROQNFQHJAODO-UHFFFAOYSA-N
MW155.54 g/mol
LogP2.00
Rot. Bonds4

About 2-chloroethyl-ethoxy-oxophosphanium

2-chloroethyl-ethoxy-oxophosphanium (PubChem CID 12736532) has the molecular formula C4H9ClO2P+ and a molecular weight of 155.54 g/mol. Its IUPAC name is 2-chloroethyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Name2-chloroethyl-ethoxy-oxophosphanium
PubChem CID12736532
Molecular FormulaC4H9ClO2P+
Molecular Weight155.54 g/mol
Exact Mass155.00
IUPAC Name2-chloroethyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)CCCl
InChIInChI=1S/C4H9ClO2P/c1-2-7-8(6)4-3-5/h2-4H2,1H3/q+1
InChIKeyCWROQNFQHJAODO-UHFFFAOYSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.54
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethyl-ethoxy-oxophosphanium?
The IUPAC name of 2-chloroethyl-ethoxy-oxophosphanium (CID 12736532) is 2-chloroethyl-ethoxy-oxophosphanium.
What is the SMILES notation for 2-chloroethyl-ethoxy-oxophosphanium?
The canonical SMILES for 2-chloroethyl-ethoxy-oxophosphanium is CCO[P+](=O)CCCl.
What is the InChIKey of 2-chloroethyl-ethoxy-oxophosphanium?
The InChIKey is CWROQNFQHJAODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO2P/c1-2-7-8(6)4-3-5/h2-4H2,1H3/q+1.
What are the key properties of 2-chloroethyl-ethoxy-oxophosphanium?
2-chloroethyl-ethoxy-oxophosphanium has a molecular weight of 155.54 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethyl-ethoxy-oxophosphanium is sourced from PubChem (CID 12736532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).