methyl-phenyl-dipropoxyphosphanium

C13H22O2P+ — CID 69053143

IUPACmethyl-phenyl-dipropoxyphosphanium
SMILESCCCO[P+](C)(OCCC)c1ccccc1
InChIInChI=1S/C13H22O2P/c1-4-11-14-16(3,15-12-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3/q+1
InChIKeyXIEXIOFWIZZIQG-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.64
Rot. Bonds7

About methyl-phenyl-dipropoxyphosphanium

methyl-phenyl-dipropoxyphosphanium (PubChem CID 69053143) has the molecular formula C13H22O2P+ and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl-phenyl-dipropoxyphosphanium.

Molecular Properties

Compound Namemethyl-phenyl-dipropoxyphosphanium
PubChem CID69053143
Molecular FormulaC13H22O2P+
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Namemethyl-phenyl-dipropoxyphosphanium
SMILESCCCO[P+](C)(OCCC)c1ccccc1
InChIInChI=1S/C13H22O2P/c1-4-11-14-16(3,15-12-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3/q+1
InChIKeyXIEXIOFWIZZIQG-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl-phenyl-dipropoxyphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-phenyl-dipropoxyphosphanium?
The IUPAC name of methyl-phenyl-dipropoxyphosphanium (CID 69053143) is methyl-phenyl-dipropoxyphosphanium.
What is the SMILES notation for methyl-phenyl-dipropoxyphosphanium?
The canonical SMILES for methyl-phenyl-dipropoxyphosphanium is CCCO[P+](C)(OCCC)c1ccccc1.
What is the InChIKey of methyl-phenyl-dipropoxyphosphanium?
The InChIKey is XIEXIOFWIZZIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2P/c1-4-11-14-16(3,15-12-5-2)13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3/q+1.
What are the key properties of methyl-phenyl-dipropoxyphosphanium?
methyl-phenyl-dipropoxyphosphanium has a molecular weight of 241.29 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-phenyl-dipropoxyphosphanium is sourced from PubChem (CID 69053143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).