About methanol;1-phosphanylpropan-1-ol
methanol;1-phosphanylpropan-1-ol (PubChem CID 89485594) has the molecular formula C4H13O2P
and a molecular weight of 124.12 g/mol. Its IUPAC name is methanol;1-phosphanylpropan-1-ol.
Molecular Properties
| Compound Name | methanol;1-phosphanylpropan-1-ol |
| PubChem CID | 89485594 |
| Molecular Formula | C4H13O2P |
| Molecular Weight | 124.12 g/mol |
| Exact Mass | 124.07 |
| IUPAC Name | methanol;1-phosphanylpropan-1-ol |
| SMILES | CCC(O)P.CO |
| InChI | InChI=1S/C3H9OP.CH4O/c1-2-3(4)5;1-2/h3-4H,2,5H2,1H3;2H,1H3 |
| InChIKey | IVUNWNQQSKBBOV-UHFFFAOYSA-N |
| XLogP | 0.20 |
| TPSA | 40.46 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 7 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 124.12 |
| LogP ≤ 5 | 0.20 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methanol;1-phosphanylpropan-1-ol?
The IUPAC name of methanol;1-phosphanylpropan-1-ol (CID 89485594) is methanol;1-phosphanylpropan-1-ol.
What is the SMILES notation for methanol;1-phosphanylpropan-1-ol?
The canonical SMILES for methanol;1-phosphanylpropan-1-ol is CCC(O)P.CO.
What is the InChIKey of methanol;1-phosphanylpropan-1-ol?
The InChIKey is IVUNWNQQSKBBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9OP.CH4O/c1-2-3(4)5;1-2/h3-4H,2,5H2,1H3;2H,1H3.
What are the key properties of methanol;1-phosphanylpropan-1-ol?
methanol;1-phosphanylpropan-1-ol has a molecular weight of 124.12 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-phosphanylpropan-1-ol is sourced from PubChem (CID 89485594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).