oxo(diphenoxy)phosphanium

C12H10O3P+ — CID 6327546

IUPACoxo(diphenoxy)phosphanium
SMILESO=[P+](Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H10O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H/q+1
InChIKeyCDXVUROVRIFQMV-UHFFFAOYSA-N
MW233.18 g/mol
LogP3.80
Rot. Bonds4

About oxo(diphenoxy)phosphanium

oxo(diphenoxy)phosphanium (PubChem CID 6327546) has the molecular formula C12H10O3P+ and a molecular weight of 233.18 g/mol. Its IUPAC name is oxo(diphenoxy)phosphanium.

Molecular Properties

Compound Nameoxo(diphenoxy)phosphanium
PubChem CID6327546
Molecular FormulaC12H10O3P+
Molecular Weight233.18 g/mol
Exact Mass233.04
IUPAC Nameoxo(diphenoxy)phosphanium
SMILESO=[P+](Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H10O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H/q+1
InChIKeyCDXVUROVRIFQMV-UHFFFAOYSA-N
XLogP3.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 53.80
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 oxo(diphenoxy)phosphanium?
The IUPAC name of oxo(diphenoxy)phosphanium (CID 6327546) is oxo(diphenoxy)phosphanium.
What is the SMILES notation for oxo(diphenoxy)phosphanium?
The canonical SMILES for oxo(diphenoxy)phosphanium is O=[P+](Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of oxo(diphenoxy)phosphanium?
The InChIKey is CDXVUROVRIFQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H/q+1.
What are the key properties of oxo(diphenoxy)phosphanium?
oxo(diphenoxy)phosphanium has a molecular weight of 233.18 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(diphenoxy)phosphanium is sourced from PubChem (CID 6327546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).