About benzyl-(2-methoxyphenyl)phosphane
benzyl-(2-methoxyphenyl)phosphane (PubChem CID 70560588) has the molecular formula C14H15OP
and a molecular weight of 230.25 g/mol. Its IUPAC name is benzyl-(2-methoxyphenyl)phosphane.
Molecular Properties
| Compound Name | benzyl-(2-methoxyphenyl)phosphane |
| PubChem CID | 70560588 |
| Molecular Formula | C14H15OP |
| Molecular Weight | 230.25 g/mol |
| Exact Mass | 230.09 |
| IUPAC Name | benzyl-(2-methoxyphenyl)phosphane |
| SMILES | COc1ccccc1PCc1ccccc1 |
| InChI | InChI=1S/C14H15OP/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-10,16H,11H2,1H3 |
| InChIKey | HIEDUWPOQBEHCE-UHFFFAOYSA-N |
| XLogP | 3.20 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 230.25 |
| LogP ≤ 5 | 3.20 |
| 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 benzyl-(2-methoxyphenyl)phosphane?
The IUPAC name of benzyl-(2-methoxyphenyl)phosphane (CID 70560588) is benzyl-(2-methoxyphenyl)phosphane.
What is the SMILES notation for benzyl-(2-methoxyphenyl)phosphane?
The canonical SMILES for benzyl-(2-methoxyphenyl)phosphane is COc1ccccc1PCc1ccccc1.
What is the InChIKey of benzyl-(2-methoxyphenyl)phosphane?
The InChIKey is HIEDUWPOQBEHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15OP/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-10,16H,11H2,1H3.
What are the key properties of benzyl-(2-methoxyphenyl)phosphane?
benzyl-(2-methoxyphenyl)phosphane has a molecular weight of 230.25 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(2-methoxyphenyl)phosphane is sourced from PubChem (CID 70560588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).