About [2-(oxolan-2-yl)phenyl]methanol
[2-(oxolan-2-yl)phenyl]methanol (PubChem CID 156806092) has the molecular formula C11H14O2
and a molecular weight of 178.23 g/mol. Its IUPAC name is [2-(oxolan-2-yl)phenyl]methanol.
Molecular Properties
| Compound Name | [2-(oxolan-2-yl)phenyl]methanol |
| PubChem CID | 156806092 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.23 g/mol |
| Exact Mass | 178.10 |
| IUPAC Name | [2-(oxolan-2-yl)phenyl]methanol |
| SMILES | OCc1ccccc1C1CCCO1 |
| InChI | InChI=1S/C11H14O2/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-2,4-5,11-12H,3,6-8H2 |
| InChIKey | XSJIQBUKJLYECN-UHFFFAOYSA-N |
| XLogP | 2.03 |
| TPSA | 29.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 178.23 |
| LogP ≤ 5 | 2.03 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of [2-(oxolan-2-yl)phenyl]methanol?
The IUPAC name of [2-(oxolan-2-yl)phenyl]methanol (CID 156806092) is [2-(oxolan-2-yl)phenyl]methanol.
What is the SMILES notation for [2-(oxolan-2-yl)phenyl]methanol?
The canonical SMILES for [2-(oxolan-2-yl)phenyl]methanol is OCc1ccccc1C1CCCO1.
What is the InChIKey of [2-(oxolan-2-yl)phenyl]methanol?
The InChIKey is XSJIQBUKJLYECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-2,4-5,11-12H,3,6-8H2.
What are the key properties of [2-(oxolan-2-yl)phenyl]methanol?
[2-(oxolan-2-yl)phenyl]methanol has a molecular weight of 178.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-2-yl)phenyl]methanol is sourced from PubChem (CID 156806092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).