ethoxy(triphenyl)phosphanium chloride

C20H20ClOP — CID 154791752

IUPACethoxy(triphenyl)phosphanium chloride
SMILESCCO[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H20OP.ClH/c1-2-21-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1
InChIKeyLYXGJNXRSQUBSD-UHFFFAOYSA-M
MW342.81 g/mol
LogP0.94
Rot. Bonds5

About ethoxy(triphenyl)phosphanium chloride

ethoxy(triphenyl)phosphanium chloride (PubChem CID 154791752) has the molecular formula C20H20ClOP and a molecular weight of 342.81 g/mol. Its IUPAC name is ethoxy(triphenyl)phosphanium chloride.

Molecular Properties

Compound Nameethoxy(triphenyl)phosphanium chloride
PubChem CID154791752
Molecular FormulaC20H20ClOP
Molecular Weight342.81 g/mol
Exact Mass342.09
IUPAC Nameethoxy(triphenyl)phosphanium chloride
SMILESCCO[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H20OP.ClH/c1-2-21-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1
InChIKeyLYXGJNXRSQUBSD-UHFFFAOYSA-M
XLogP0.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethoxy(triphenyl)phosphanium
CID 10092776
ethoxy(triphenyl)phosphanium;hydrochloride
CID 175230805
ethoxy-dihydroxy-phenylphosphanium
CID 56992947
2-triphenylphosphaniumyloxyethanethiolate
CID 134876851
triethyl(phenyl)phosphanium chloride
CID 21464749
methoxy(triphenyl)phosphanium;hydrobromide
CID 174550748
triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide
CID 87509247
methyl-phenyl-dipropoxyphosphanium
CID 69053143
triphenyl(propan-2-yloxymethyl)phosphanium chloride
CID 172782350
diphenyl(dipropyl)phosphanium chloride
CID 69307646
5,5-diethoxypentyl(triphenyl)phosphanium
CID 156628237
butanoyloxy(triphenyl)phosphanium
CID 57167471

Frequently Asked Questions

What is the IUPAC name of ethoxy(triphenyl)phosphanium chloride?
The IUPAC name of ethoxy(triphenyl)phosphanium chloride (CID 154791752) is ethoxy(triphenyl)phosphanium chloride.
What is the SMILES notation for ethoxy(triphenyl)phosphanium chloride?
The canonical SMILES for ethoxy(triphenyl)phosphanium chloride is CCO[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of ethoxy(triphenyl)phosphanium chloride?
The InChIKey is LYXGJNXRSQUBSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20OP.ClH/c1-2-21-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1.
What are the key properties of ethoxy(triphenyl)phosphanium chloride?
ethoxy(triphenyl)phosphanium chloride has a molecular weight of 342.81 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(triphenyl)phosphanium chloride is sourced from PubChem (CID 154791752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).