[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C₂₅H₂₅O₂P — CID 91322259

About [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 91322259) has the molecular formula C₂₅H₂₅O₂P and a molecular weight of 388.45 g/mol. Its IUPAC name is [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

• Compound Name: [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
• PubChem CID: 91322259
• Molecular Formula: C₂₅H₂₅O₂P
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.16
• IUPAC Name: [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
• SMILES: CC(=CP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H25O2P/c1-18-15-19(2)24(20(3)16-18)25(26)28(27,23-13-9-6-10-14-23)17-21(4)22-11-7-5-8-12-22/h5-17H,1-4H3
• InChIKey: QNICOWPBSNZYTP-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 34.14 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.45
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?

The IUPAC name of [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 91322259) is [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

What is the SMILES notation for [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?

The canonical SMILES for [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is CC(=CP(=O)(C(=O)c1c(C)cc(C)cc1C)c1ccccc1)c1ccccc1.

What is the InChIKey of [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?

The InChIKey is QNICOWPBSNZYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25O2P/c1-18-15-19(2)24(20(3)16-18)25(26)28(27,23-13-9-6-10-14-23)17-21(4)22-11-7-5-8-12-22/h5-17H,1-4H3.

What are the key properties of [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?

[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 388.45 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 91322259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91322259 — identifiers, structure, computed properties (public domain)

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