2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate

C6H14ClO6P — CID 166607850

IUPAC2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCOCCOCCCl
InChIInChI=1S/C6H14ClO6P/c7-1-2-11-3-4-12-5-6-13-14(8,9)10/h1-6H2,(H2,8,9,10)
InChIKeyGYJJKEVCXRGWRX-UHFFFAOYSA-N
MW248.60 g/mol
LogP0.37
Rot. Bonds9

About 2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate

2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate (PubChem CID 166607850) has the molecular formula C6H14ClO6P and a molecular weight of 248.60 g/mol. Its IUPAC name is 2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate
PubChem CID166607850
Molecular FormulaC6H14ClO6P
Molecular Weight248.60 g/mol
Exact Mass248.02
IUPAC Name2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCOCCOCCCl
InChIInChI=1S/C6H14ClO6P/c7-1-2-11-3-4-12-5-6-13-14(8,9)10/h1-6H2,(H2,8,9,10)
InChIKeyGYJJKEVCXRGWRX-UHFFFAOYSA-N
XLogP0.37
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.60
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate?
The IUPAC name of 2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate (CID 166607850) is 2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate is O=P(O)(O)OCCOCCOCCCl.
What is the InChIKey of 2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate?
The InChIKey is GYJJKEVCXRGWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClO6P/c7-1-2-11-3-4-12-5-6-13-14(8,9)10/h1-6H2,(H2,8,9,10).
What are the key properties of 2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate?
2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate has a molecular weight of 248.60 g/mol, XLogP of 0.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate is sourced from PubChem (CID 166607850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).