2-hydroxyethyl(trimethyl)azanium;phenylphosphane

C11H21NOP+ — CID 174845713

IUPAC2-hydroxyethyl(trimethyl)azanium;phenylphosphane
SMILESC[N+](C)(C)CCO.Pc1ccccc1
InChIInChI=1S/C6H7P.C5H14NO/c7-6-4-2-1-3-5-6;1-6(2,3)4-5-7/h1-5H,7H2;7H,4-5H2,1-3H3/q;+1
InChIKeyPITRFACJMUFYEK-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.87
Rot. Bonds2

About 2-hydroxyethyl(trimethyl)azanium;phenylphosphane

2-hydroxyethyl(trimethyl)azanium;phenylphosphane (PubChem CID 174845713) has the molecular formula C11H21NOP+ and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-hydroxyethyl(trimethyl)azanium;phenylphosphane.

Molecular Properties

Compound Name2-hydroxyethyl(trimethyl)azanium;phenylphosphane
PubChem CID174845713
Molecular FormulaC11H21NOP+
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name2-hydroxyethyl(trimethyl)azanium;phenylphosphane
SMILESC[N+](C)(C)CCO.Pc1ccccc1
InChIInChI=1S/C6H7P.C5H14NO/c7-6-4-2-1-3-5-6;1-6(2,3)4-5-7/h1-5H,7H2;7H,4-5H2,1-3H3/q;+1
InChIKeyPITRFACJMUFYEK-UHFFFAOYSA-N
XLogP0.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(trimethyl)azanium;phenylphosphane?
The IUPAC name of 2-hydroxyethyl(trimethyl)azanium;phenylphosphane (CID 174845713) is 2-hydroxyethyl(trimethyl)azanium;phenylphosphane.
What is the SMILES notation for 2-hydroxyethyl(trimethyl)azanium;phenylphosphane?
The canonical SMILES for 2-hydroxyethyl(trimethyl)azanium;phenylphosphane is C[N+](C)(C)CCO.Pc1ccccc1.
What is the InChIKey of 2-hydroxyethyl(trimethyl)azanium;phenylphosphane?
The InChIKey is PITRFACJMUFYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7P.C5H14NO/c7-6-4-2-1-3-5-6;1-6(2,3)4-5-7/h1-5H,7H2;7H,4-5H2,1-3H3/q;+1.
What are the key properties of 2-hydroxyethyl(trimethyl)azanium;phenylphosphane?
2-hydroxyethyl(trimethyl)azanium;phenylphosphane has a molecular weight of 214.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(trimethyl)azanium;phenylphosphane is sourced from PubChem (CID 174845713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).