About 3-methoxy-2-phenoxypropan-1-ol
3-methoxy-2-phenoxypropan-1-ol (PubChem CID 154118183) has the molecular formula C10H14O3
and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methoxy-2-phenoxypropan-1-ol.
Molecular Properties
| Compound Name | 3-methoxy-2-phenoxypropan-1-ol |
| PubChem CID | 154118183 |
| Molecular Formula | C10H14O3 |
| Molecular Weight | 182.22 g/mol |
| Exact Mass | 182.09 |
| IUPAC Name | 3-methoxy-2-phenoxypropan-1-ol |
| SMILES | COCC(CO)Oc1ccccc1 |
| InChI | InChI=1S/C10H14O3/c1-12-8-10(7-11)13-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3 |
| InChIKey | LLTQFQOZCBWRKV-UHFFFAOYSA-N |
| XLogP | 1.07 |
| TPSA | 38.69 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 182.22 |
| LogP ≤ 5 | 1.07 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 3-methoxy-2-phenoxypropan-1-ol?
The IUPAC name of 3-methoxy-2-phenoxypropan-1-ol (CID 154118183) is 3-methoxy-2-phenoxypropan-1-ol.
What is the SMILES notation for 3-methoxy-2-phenoxypropan-1-ol?
The canonical SMILES for 3-methoxy-2-phenoxypropan-1-ol is COCC(CO)Oc1ccccc1.
What is the InChIKey of 3-methoxy-2-phenoxypropan-1-ol?
The InChIKey is LLTQFQOZCBWRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-12-8-10(7-11)13-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3.
What are the key properties of 3-methoxy-2-phenoxypropan-1-ol?
3-methoxy-2-phenoxypropan-1-ol has a molecular weight of 182.22 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenoxypropan-1-ol is sourced from PubChem (CID 154118183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).