ethoxy-oxo-phenoxyphosphanium

C8H10O3P+ — CID 6327882

IUPACethoxy-oxo-phenoxyphosphanium
SMILESCCO[P+](=O)Oc1ccccc1
InChIInChI=1S/C8H10O3P/c1-2-10-12(9)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1
InChIKeyYTPYEMDHQWLUKG-UHFFFAOYSA-N
MW185.14 g/mol
LogP2.76
Rot. Bonds4

About ethoxy-oxo-phenoxyphosphanium

ethoxy-oxo-phenoxyphosphanium (PubChem CID 6327882) has the molecular formula C8H10O3P+ and a molecular weight of 185.14 g/mol. Its IUPAC name is ethoxy-oxo-phenoxyphosphanium.

Molecular Properties

Compound Nameethoxy-oxo-phenoxyphosphanium
PubChem CID6327882
Molecular FormulaC8H10O3P+
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Nameethoxy-oxo-phenoxyphosphanium
SMILESCCO[P+](=O)Oc1ccccc1
InChIInChI=1S/C8H10O3P/c1-2-10-12(9)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1
InChIKeyYTPYEMDHQWLUKG-UHFFFAOYSA-N
XLogP2.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-phenoxyphosphanium?
The IUPAC name of ethoxy-oxo-phenoxyphosphanium (CID 6327882) is ethoxy-oxo-phenoxyphosphanium.
What is the SMILES notation for ethoxy-oxo-phenoxyphosphanium?
The canonical SMILES for ethoxy-oxo-phenoxyphosphanium is CCO[P+](=O)Oc1ccccc1.
What is the InChIKey of ethoxy-oxo-phenoxyphosphanium?
The InChIKey is YTPYEMDHQWLUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3P/c1-2-10-12(9)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1.
What are the key properties of ethoxy-oxo-phenoxyphosphanium?
ethoxy-oxo-phenoxyphosphanium has a molecular weight of 185.14 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-phenoxyphosphanium is sourced from PubChem (CID 6327882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).