2-hydroxyethyl(triphenyl)phosphanium chloride

C20H20ClOP — CID 520034

IUPAC2-hydroxyethyl(triphenyl)phosphanium chloride
SMILESOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H20OP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1
InChIKeyNOEABYSOSUWXKG-UHFFFAOYSA-M
MW342.81 g/mol
LogP-0.02
Rot. Bonds5

About 2-hydroxyethyl(triphenyl)phosphanium chloride

2-hydroxyethyl(triphenyl)phosphanium chloride (PubChem CID 520034) has the molecular formula C20H20ClOP and a molecular weight of 342.81 g/mol. Its IUPAC name is 2-hydroxyethyl(triphenyl)phosphanium chloride.

Molecular Properties

Compound Name2-hydroxyethyl(triphenyl)phosphanium chloride
PubChem CID520034
Molecular FormulaC20H20ClOP
Molecular Weight342.81 g/mol
Exact Mass342.09
IUPAC Name2-hydroxyethyl(triphenyl)phosphanium chloride
SMILESOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H20OP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1
InChIKeyNOEABYSOSUWXKG-UHFFFAOYSA-M
XLogP-0.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl(triphenyl)phosphanium chloride?
The IUPAC name of 2-hydroxyethyl(triphenyl)phosphanium chloride (CID 520034) is 2-hydroxyethyl(triphenyl)phosphanium chloride.
What is the SMILES notation for 2-hydroxyethyl(triphenyl)phosphanium chloride?
The canonical SMILES for 2-hydroxyethyl(triphenyl)phosphanium chloride is OCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of 2-hydroxyethyl(triphenyl)phosphanium chloride?
The InChIKey is NOEABYSOSUWXKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20OP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1.
What are the key properties of 2-hydroxyethyl(triphenyl)phosphanium chloride?
2-hydroxyethyl(triphenyl)phosphanium chloride has a molecular weight of 342.81 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl(triphenyl)phosphanium chloride is sourced from PubChem (CID 520034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).