About (2,3-dimethylphenyl)-ethoxyphosphane
(2,3-dimethylphenyl)-ethoxyphosphane (PubChem CID 69053238) has the molecular formula C10H15OP
and a molecular weight of 182.20 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-ethoxyphosphane.
Molecular Properties
| Compound Name | (2,3-dimethylphenyl)-ethoxyphosphane |
| PubChem CID | 69053238 |
| Molecular Formula | C10H15OP |
| Molecular Weight | 182.20 g/mol |
| Exact Mass | 182.09 |
| IUPAC Name | (2,3-dimethylphenyl)-ethoxyphosphane |
| SMILES | CCOPc1cccc(C)c1C |
| InChI | InChI=1S/C10H15OP/c1-4-11-12-10-7-5-6-8(2)9(10)3/h5-7,12H,4H2,1-3H3 |
| InChIKey | JKBBKSIDZJTUFW-UHFFFAOYSA-N |
| XLogP | 2.56 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 182.20 |
| LogP ≤ 5 | 2.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|
Analyze (2,3-dimethylphenyl)-ethoxyphosphane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of (2,3-dimethylphenyl)-ethoxyphosphane?
The IUPAC name of (2,3-dimethylphenyl)-ethoxyphosphane (CID 69053238) is (2,3-dimethylphenyl)-ethoxyphosphane.
What is the SMILES notation for (2,3-dimethylphenyl)-ethoxyphosphane?
The canonical SMILES for (2,3-dimethylphenyl)-ethoxyphosphane is CCOPc1cccc(C)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-ethoxyphosphane?
The InChIKey is JKBBKSIDZJTUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15OP/c1-4-11-12-10-7-5-6-8(2)9(10)3/h5-7,12H,4H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-ethoxyphosphane?
(2,3-dimethylphenyl)-ethoxyphosphane has a molecular weight of 182.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-ethoxyphosphane is sourced from PubChem (CID 69053238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).