About (4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane
(4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane (PubChem CID 118112401) has the molecular formula C20H19P
and a molecular weight of 290.35 g/mol. Its IUPAC name is (4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane.
Molecular Properties
| Compound Name | (4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane |
| PubChem CID | 118112401 |
| Molecular Formula | C20H19P |
| Molecular Weight | 290.35 g/mol |
| Exact Mass | 290.12 |
| IUPAC Name | (4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane |
| SMILES | Cc1ccc(Pc2ccc(-c3ccccc3)cc2C)cc1 |
| InChI | InChI=1S/C20H19P/c1-15-8-11-19(12-9-15)21-20-13-10-18(14-16(20)2)17-6-4-3-5-7-17/h3-14,21H,1-2H3 |
| InChIKey | HQKAZODEKBHOPV-UHFFFAOYSA-N |
| XLogP | 4.60 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 290.35 |
| LogP ≤ 5 | 4.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of (4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane?
The IUPAC name of (4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane (CID 118112401) is (4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane.
What is the SMILES notation for (4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane?
The canonical SMILES for (4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane is Cc1ccc(Pc2ccc(-c3ccccc3)cc2C)cc1.
What is the InChIKey of (4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane?
The InChIKey is HQKAZODEKBHOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19P/c1-15-8-11-19(12-9-15)21-20-13-10-18(14-16(20)2)17-6-4-3-5-7-17/h3-14,21H,1-2H3.
What are the key properties of (4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane?
(4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane has a molecular weight of 290.35 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(2-methyl-4-phenylphenyl)phosphane is sourced from PubChem (CID 118112401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).