2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate

C10H15O6P — CID 118899345

IUPAC2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate
SMILESO=P(O)(OCCOCCO)Oc1ccccc1
InChIInChI=1S/C10H15O6P/c11-6-7-14-8-9-15-17(12,13)16-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,12,13)
InChIKeyCPVNNSWZAQLTAU-UHFFFAOYSA-N
MW262.20 g/mol
LogP1.19
Rot. Bonds8

About 2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate

2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate (PubChem CID 118899345) has the molecular formula C10H15O6P and a molecular weight of 262.20 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate
PubChem CID118899345
Molecular FormulaC10H15O6P
Molecular Weight262.20 g/mol
Exact Mass262.06
IUPAC Name2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate
SMILESO=P(O)(OCCOCCO)Oc1ccccc1
InChIInChI=1S/C10H15O6P/c11-6-7-14-8-9-15-17(12,13)16-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,12,13)
InChIKeyCPVNNSWZAQLTAU-UHFFFAOYSA-N
XLogP1.19
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate (CID 118899345) is 2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate is O=P(O)(OCCOCCO)Oc1ccccc1.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate?
The InChIKey is CPVNNSWZAQLTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O6P/c11-6-7-14-8-9-15-17(12,13)16-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,12,13).
What are the key properties of 2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate?
2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate has a molecular weight of 262.20 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl phenyl hydrogen phosphate is sourced from PubChem (CID 118899345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).