About 2-(4-prop-1-enylphenoxy)ethanol
2-(4-prop-1-enylphenoxy)ethanol (PubChem CID 54412247) has the molecular formula C11H14O2
and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(4-prop-1-enylphenoxy)ethanol.
Molecular Properties
| Compound Name | 2-(4-prop-1-enylphenoxy)ethanol |
| PubChem CID | 54412247 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.23 g/mol |
| Exact Mass | 178.10 |
| IUPAC Name | 2-(4-prop-1-enylphenoxy)ethanol |
| SMILES | CC=Cc1ccc(OCCO)cc1 |
| InChI | InChI=1S/C11H14O2/c1-2-3-10-4-6-11(7-5-10)13-9-8-12/h2-7,12H,8-9H2,1H3 |
| InChIKey | VUYDZPRHFWJBHR-UHFFFAOYSA-N |
| XLogP | 2.09 |
| TPSA | 29.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 178.23 |
| LogP ≤ 5 | 2.09 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-prop-1-enylphenoxy)ethanol?
The IUPAC name of 2-(4-prop-1-enylphenoxy)ethanol (CID 54412247) is 2-(4-prop-1-enylphenoxy)ethanol.
What is the SMILES notation for 2-(4-prop-1-enylphenoxy)ethanol?
The canonical SMILES for 2-(4-prop-1-enylphenoxy)ethanol is CC=Cc1ccc(OCCO)cc1.
What is the InChIKey of 2-(4-prop-1-enylphenoxy)ethanol?
The InChIKey is VUYDZPRHFWJBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-3-10-4-6-11(7-5-10)13-9-8-12/h2-7,12H,8-9H2,1H3.
What are the key properties of 2-(4-prop-1-enylphenoxy)ethanol?
2-(4-prop-1-enylphenoxy)ethanol has a molecular weight of 178.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-1-enylphenoxy)ethanol is sourced from PubChem (CID 54412247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).