ethenoxy-oxo-phenoxyphosphanium

C8H8O3P+ — CID 57202191

IUPACethenoxy-oxo-phenoxyphosphanium
SMILESC=CO[P+](=O)Oc1ccccc1
InChIInChI=1S/C8H8O3P/c1-2-10-12(9)11-8-6-4-3-5-7-8/h2-7H,1H2/q+1
InChIKeyCFQASSCYWHBIMG-UHFFFAOYSA-N
MW183.12 g/mol
LogP2.88
Rot. Bonds4

About ethenoxy-oxo-phenoxyphosphanium

ethenoxy-oxo-phenoxyphosphanium (PubChem CID 57202191) has the molecular formula C8H8O3P+ and a molecular weight of 183.12 g/mol. Its IUPAC name is ethenoxy-oxo-phenoxyphosphanium.

Molecular Properties

Compound Nameethenoxy-oxo-phenoxyphosphanium
PubChem CID57202191
Molecular FormulaC8H8O3P+
Molecular Weight183.12 g/mol
Exact Mass183.02
IUPAC Nameethenoxy-oxo-phenoxyphosphanium
SMILESC=CO[P+](=O)Oc1ccccc1
InChIInChI=1S/C8H8O3P/c1-2-10-12(9)11-8-6-4-3-5-7-8/h2-7H,1H2/q+1
InChIKeyCFQASSCYWHBIMG-UHFFFAOYSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenoxy-oxo-phenoxyphosphanium?
The IUPAC name of ethenoxy-oxo-phenoxyphosphanium (CID 57202191) is ethenoxy-oxo-phenoxyphosphanium.
What is the SMILES notation for ethenoxy-oxo-phenoxyphosphanium?
The canonical SMILES for ethenoxy-oxo-phenoxyphosphanium is C=CO[P+](=O)Oc1ccccc1.
What is the InChIKey of ethenoxy-oxo-phenoxyphosphanium?
The InChIKey is CFQASSCYWHBIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3P/c1-2-10-12(9)11-8-6-4-3-5-7-8/h2-7H,1H2/q+1.
What are the key properties of ethenoxy-oxo-phenoxyphosphanium?
ethenoxy-oxo-phenoxyphosphanium has a molecular weight of 183.12 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxy-oxo-phenoxyphosphanium is sourced from PubChem (CID 57202191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).