chloromethyl(triphenyl)phosphanium;methanolate

C20H20ClOP — CID 18356085

IUPACchloromethyl(triphenyl)phosphanium;methanolate
SMILESC[O-].ClC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17ClP.CH3O/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-2/h1-15H,16H2;1H3/q+1;-1
InChIKeyGXHJBCOOXGHQLF-UHFFFAOYSA-N
MW342.81 g/mol
LogP3.15
Rot. Bonds4

About chloromethyl(triphenyl)phosphanium;methanolate

chloromethyl(triphenyl)phosphanium;methanolate (PubChem CID 18356085) has the molecular formula C20H20ClOP and a molecular weight of 342.81 g/mol. Its IUPAC name is chloromethyl(triphenyl)phosphanium;methanolate.

Molecular Properties

Compound Namechloromethyl(triphenyl)phosphanium;methanolate
PubChem CID18356085
Molecular FormulaC20H20ClOP
Molecular Weight342.81 g/mol
Exact Mass342.09
IUPAC Namechloromethyl(triphenyl)phosphanium;methanolate
SMILESC[O-].ClC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17ClP.CH3O/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-2/h1-15H,16H2;1H3/q+1;-1
InChIKeyGXHJBCOOXGHQLF-UHFFFAOYSA-N
XLogP3.15
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(ethyl(triphenyl)phosphanium);phosphite
CID 157236342
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
3-chloropropyl(triphenyl)phosphanium;gold
CID 71396572
triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate
CID 139080930
CID 172998208
CID 172998208
aminomethyl(triphenyl)phosphanium
CID 155040126
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
chloroplatinum;hydroxymethyl(triphenyl)phosphanium
CID 174615744
[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium
CID 101168782
azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide
CID 174751810

Frequently Asked Questions

What is the IUPAC name of chloromethyl(triphenyl)phosphanium;methanolate?
The IUPAC name of chloromethyl(triphenyl)phosphanium;methanolate (CID 18356085) is chloromethyl(triphenyl)phosphanium;methanolate.
What is the SMILES notation for chloromethyl(triphenyl)phosphanium;methanolate?
The canonical SMILES for chloromethyl(triphenyl)phosphanium;methanolate is C[O-].ClC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloromethyl(triphenyl)phosphanium;methanolate?
The InChIKey is GXHJBCOOXGHQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClP.CH3O/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-2/h1-15H,16H2;1H3/q+1;-1.
What are the key properties of chloromethyl(triphenyl)phosphanium;methanolate?
chloromethyl(triphenyl)phosphanium;methanolate has a molecular weight of 342.81 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl(triphenyl)phosphanium;methanolate is sourced from PubChem (CID 18356085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).