About phenoxymethylidene(triphenyl)-λ5-phosphane
phenoxymethylidene(triphenyl)-λ5-phosphane (PubChem CID 21329537) has the molecular formula C25H21OP
and a molecular weight of 368.42 g/mol. Its IUPAC name is phenoxymethylidene(triphenyl)-λ5-phosphane.
Molecular Properties
| Compound Name | phenoxymethylidene(triphenyl)-λ5-phosphane |
| PubChem CID | 21329537 |
| Molecular Formula | C25H21OP |
| Molecular Weight | 368.42 g/mol |
| Exact Mass | 368.13 |
| IUPAC Name | phenoxymethylidene(triphenyl)-λ5-phosphane |
| SMILES | C(Oc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C25H21OP/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H |
| InChIKey | OUQZETDZCSDWSF-UHFFFAOYSA-N |
| XLogP | 4.82 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 27 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 368.42 |
| LogP ≤ 5 | 4.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of phenoxymethylidene(triphenyl)-λ5-phosphane?
The IUPAC name of phenoxymethylidene(triphenyl)-λ5-phosphane (CID 21329537) is phenoxymethylidene(triphenyl)-λ5-phosphane.
What is the SMILES notation for phenoxymethylidene(triphenyl)-λ5-phosphane?
The canonical SMILES for phenoxymethylidene(triphenyl)-λ5-phosphane is C(Oc1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of phenoxymethylidene(triphenyl)-λ5-phosphane?
The InChIKey is OUQZETDZCSDWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21OP/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H.
What are the key properties of phenoxymethylidene(triphenyl)-λ5-phosphane?
phenoxymethylidene(triphenyl)-λ5-phosphane has a molecular weight of 368.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxymethylidene(triphenyl)-λ5-phosphane is sourced from PubChem (CID 21329537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).