methoxymethyl(triphenyl)phosphanium chloride

C20H20ClOP — CID 2723798

IUPACmethoxymethyl(triphenyl)phosphanium chloride
SMILESCOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H20OP.ClH/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1
InChIKeySJFNDMHZXCUXSA-UHFFFAOYSA-M
MW342.81 g/mol
LogP0.59
Rot. Bonds5

About methoxymethyl(triphenyl)phosphanium chloride

methoxymethyl(triphenyl)phosphanium chloride (PubChem CID 2723798) has the molecular formula C20H20ClOP and a molecular weight of 342.81 g/mol. Its IUPAC name is methoxymethyl(triphenyl)phosphanium chloride.

Molecular Properties

Compound Namemethoxymethyl(triphenyl)phosphanium chloride
PubChem CID2723798
Molecular FormulaC20H20ClOP
Molecular Weight342.81 g/mol
Exact Mass342.09
IUPAC Namemethoxymethyl(triphenyl)phosphanium chloride
SMILESCOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C20H20OP.ClH/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1
InChIKeySJFNDMHZXCUXSA-UHFFFAOYSA-M
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 50
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 methoxymethyl(triphenyl)phosphanium chloride?
The IUPAC name of methoxymethyl(triphenyl)phosphanium chloride (CID 2723798) is methoxymethyl(triphenyl)phosphanium chloride.
What is the SMILES notation for methoxymethyl(triphenyl)phosphanium chloride?
The canonical SMILES for methoxymethyl(triphenyl)phosphanium chloride is COC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of methoxymethyl(triphenyl)phosphanium chloride?
The InChIKey is SJFNDMHZXCUXSA-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20OP.ClH/c1-21-17-22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1.
What are the key properties of methoxymethyl(triphenyl)phosphanium chloride?
methoxymethyl(triphenyl)phosphanium chloride has a molecular weight of 342.81 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl(triphenyl)phosphanium chloride is sourced from PubChem (CID 2723798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).