2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate

C12H19O7P — CID 170686959

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate
SMILESO=P(O)(OCCOCCOCCO)Oc1ccccc1
InChIInChI=1S/C12H19O7P/c13-6-7-16-8-9-17-10-11-18-20(14,15)19-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,14,15)
InChIKeyDZUIUPPCMVKIHS-UHFFFAOYSA-N
MW306.25 g/mol
LogP1.21
Rot. Bonds11

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate (PubChem CID 170686959) has the molecular formula C12H19O7P and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate
PubChem CID170686959
Molecular FormulaC12H19O7P
Molecular Weight306.25 g/mol
Exact Mass306.09
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate
SMILESO=P(O)(OCCOCCOCCO)Oc1ccccc1
InChIInChI=1S/C12H19O7P/c13-6-7-16-8-9-17-10-11-18-20(14,15)19-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,14,15)
InChIKeyDZUIUPPCMVKIHS-UHFFFAOYSA-N
XLogP1.21
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-[hydroxy(phenoxy)phosphoryl]oxybutyl phenyl hydrogen phosphate
CID 101208823
3-[3-[hydroxy(phenoxy)phosphoryl]oxypropoxy]propyl diphenyl phosphate
CID 175686297
4,4-dihydroxybutyl phenyl hydrogen phosphate
CID 175686334
hexyl phenyl hydrogen phosphate
CID 66863526
diphenyl hydrogen phosphate;dihydrate
CID 21115845
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;silane
CID 175425543
alumane;phenyl tetradecyl hydrogen phosphate
CID 173415537
2-hydroxyethyl (2-hydroxyphenyl) hydrogen phosphate
CID 139450592
2-(2-phenoxyethoxy)ethanol
CID 7715
2-[hydroxy(phenoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate;phosphoric acid
CID 121347937
dichloromethane;diphenyl hydrogen phosphate;hydrochloride
CID 174445960

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate (CID 170686959) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate is O=P(O)(OCCOCCOCCO)Oc1ccccc1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate?
The InChIKey is DZUIUPPCMVKIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O7P/c13-6-7-16-8-9-17-10-11-18-20(14,15)19-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,14,15).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate has a molecular weight of 306.25 g/mol, XLogP of 1.21, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl phenyl hydrogen phosphate is sourced from PubChem (CID 170686959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).