ethoxy-oxo-phenylphosphanium

C8H10O2P+ — CID 6328020

IUPACethoxy-oxo-phenylphosphanium
SMILESCCO[P+](=O)c1ccccc1
InChIInChI=1S/C8H10O2P/c1-2-10-11(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1
InChIKeyYJSXLGKPMXKZJR-UHFFFAOYSA-N
MW169.14 g/mol
LogP2.09
Rot. Bonds3

About ethoxy-oxo-phenylphosphanium

ethoxy-oxo-phenylphosphanium (PubChem CID 6328020) has the molecular formula C8H10O2P+ and a molecular weight of 169.14 g/mol. Its IUPAC name is ethoxy-oxo-phenylphosphanium.

Molecular Properties

Compound Nameethoxy-oxo-phenylphosphanium
PubChem CID6328020
Molecular FormulaC8H10O2P+
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Nameethoxy-oxo-phenylphosphanium
SMILESCCO[P+](=O)c1ccccc1
InChIInChI=1S/C8H10O2P/c1-2-10-11(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1
InChIKeyYJSXLGKPMXKZJR-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-oxo-phenylphosphanium?
The IUPAC name of ethoxy-oxo-phenylphosphanium (CID 6328020) is ethoxy-oxo-phenylphosphanium.
What is the SMILES notation for ethoxy-oxo-phenylphosphanium?
The canonical SMILES for ethoxy-oxo-phenylphosphanium is CCO[P+](=O)c1ccccc1.
What is the InChIKey of ethoxy-oxo-phenylphosphanium?
The InChIKey is YJSXLGKPMXKZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2P/c1-2-10-11(9)8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1.
What are the key properties of ethoxy-oxo-phenylphosphanium?
ethoxy-oxo-phenylphosphanium has a molecular weight of 169.14 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-phenylphosphanium is sourced from PubChem (CID 6328020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).