2-(2-hydroxyethoxy)ethyl dihydrogen phosphate

C4H11O6P — CID 10465027

IUPAC2-(2-hydroxyethoxy)ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCOCCO
InChIInChI=1S/C4H11O6P/c5-1-2-9-3-4-10-11(6,7)8/h5H,1-4H2,(H2,6,7,8)
InChIKeyDBQPPCHZHNFTCV-UHFFFAOYSA-N
MW186.10 g/mol
LogP-0.90
Rot. Bonds6

About 2-(2-hydroxyethoxy)ethyl dihydrogen phosphate

2-(2-hydroxyethoxy)ethyl dihydrogen phosphate (PubChem CID 10465027) has the molecular formula C4H11O6P and a molecular weight of 186.10 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl dihydrogen phosphate
PubChem CID10465027
Molecular FormulaC4H11O6P
Molecular Weight186.10 g/mol
Exact Mass186.03
IUPAC Name2-(2-hydroxyethoxy)ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCCOCCO
InChIInChI=1S/C4H11O6P/c5-1-2-9-3-4-10-11(6,7)8/h5H,1-4H2,(H2,6,7,8)
InChIKeyDBQPPCHZHNFTCV-UHFFFAOYSA-N
XLogP-0.90
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tris(2-hydroxyethyl) phosphate
CID 14892896
Hexaethylene glycol monophosphate
CID 445749
Triethylene glycol monophosphate
CID 16741216
2-(2-Ethoxyethoxy)ethyl dihydrogen phosphate
CID 110532
Bis(2-hydroxyethyl) methyl phosphate
CID 22007201
Trimethyl phosphite--2,2'-oxydi(ethan-1-ol) (1/1)
CID 6452614
2-Methoxyethanol;phosphoric acid
CID 170852816
Diethyl 2-hydroxyethyl phosphate
CID 14892894
Bis(2-hydroxyethoxy)(oxo)phosphanium
CID 15544385
Bis(2-hydroxyethyl) hydrogen phosphate
CID 19802240
2-Hydroxyethoxymethylphosphonic acid
CID 85692794
2-[2-[(2-Oxo-1,3,2lambda5-dioxaphospholan-2-yl)oxy]ethoxy]ethanol
CID 90819141

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl dihydrogen phosphate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl dihydrogen phosphate (CID 10465027) is 2-(2-hydroxyethoxy)ethyl dihydrogen phosphate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl dihydrogen phosphate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl dihydrogen phosphate is O=P(O)(O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl dihydrogen phosphate?
The InChIKey is DBQPPCHZHNFTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O6P/c5-1-2-9-3-4-10-11(6,7)8/h5H,1-4H2,(H2,6,7,8).
What are the key properties of 2-(2-hydroxyethoxy)ethyl dihydrogen phosphate?
2-(2-hydroxyethoxy)ethyl dihydrogen phosphate has a molecular weight of 186.10 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl dihydrogen phosphate is sourced from PubChem (CID 10465027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).