About 1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol (PubChem CID 43504270) has the molecular formula C14H21NO3
and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol.
Molecular Properties
| Compound Name | 1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol |
| PubChem CID | 43504270 |
| Molecular Formula | C14H21NO3 |
| Molecular Weight | 251.33 g/mol |
| Exact Mass | 251.15 |
| IUPAC Name | 1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol |
| SMILES | CC(O)c1cccc(OCCN2CCOCC2)c1 |
| InChI | InChI=1S/C14H21NO3/c1-12(16)13-3-2-4-14(11-13)18-10-7-15-5-8-17-9-6-15/h2-4,11-12,16H,5-10H2,1H3 |
| InChIKey | GIBLSPZJVIYCCD-UHFFFAOYSA-N |
| XLogP | 1.45 |
| TPSA | 41.93 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 251.33 |
| LogP ≤ 5 | 1.45 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol?
The IUPAC name of 1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol (CID 43504270) is 1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol.
What is the SMILES notation for 1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol?
The canonical SMILES for 1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol is CC(O)c1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of 1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol?
The InChIKey is GIBLSPZJVIYCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-12(16)13-3-2-4-14(11-13)18-10-7-15-5-8-17-9-6-15/h2-4,11-12,16H,5-10H2,1H3.
What are the key properties of 1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol?
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol is sourced from PubChem (CID 43504270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).