2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol

C24H27O6P — CID 102057029

IUPAC2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(OCCO)ccc1OCCOCCO
InChIInChI=1S/C24H27O6P/c25-13-15-28-17-18-30-23-12-11-20(29-16-14-26)19-24(23)31(27,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,19,25-26H,13-18H2
InChIKeyCFXJTHQRKVIMKZ-UHFFFAOYSA-N
MW442.45 g/mol
LogP2.08
Rot. Bonds12

About 2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol

2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol (PubChem CID 102057029) has the molecular formula C24H27O6P and a molecular weight of 442.45 g/mol. Its IUPAC name is 2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol
PubChem CID102057029
Molecular FormulaC24H27O6P
Molecular Weight442.45 g/mol
Exact Mass442.15
IUPAC Name2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(OCCO)ccc1OCCOCCO
InChIInChI=1S/C24H27O6P/c25-13-15-28-17-18-30-23-12-11-20(29-16-14-26)19-24(23)31(27,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,19,25-26H,13-18H2
InChIKeyCFXJTHQRKVIMKZ-UHFFFAOYSA-N
XLogP2.08
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 52.08
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

2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol
CID 19580460
2-(2-phenoxyethoxy)ethanol
CID 7715
[2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid
CID 3354156
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693
2-diphenylphosphoryl-1,4-dimethoxybenzene
CID 15129135
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anthracene-9,10-dione
CID 22315906
2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one
CID 170194757
2-(2-diphenylphosphorylnaphthalen-1-yl)oxyethanol
CID 135069089
2-diphenylphosphoryl-4-ethoxyphenol
CID 175172979
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol (CID 102057029) is 2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol is O=P(c1ccccc1)(c1ccccc1)c1cc(OCCO)ccc1OCCOCCO.
What is the InChIKey of 2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol?
The InChIKey is CFXJTHQRKVIMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O6P/c25-13-15-28-17-18-30-23-12-11-20(29-16-14-26)19-24(23)31(27,21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,19,25-26H,13-18H2.
What are the key properties of 2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol?
2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol has a molecular weight of 442.45 g/mol, XLogP of 2.08, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-diphenylphosphoryl-4-(2-hydroxyethoxy)phenoxy]ethoxy]ethanol is sourced from PubChem (CID 102057029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).