About [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol
[2-[2-(hydroxymethyl)phenoxy]phenyl]methanol (PubChem CID 611393) has the molecular formula C14H14O3
and a molecular weight of 230.26 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol.
Molecular Properties
| Compound Name | [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol |
| PubChem CID | 611393 |
| Molecular Formula | C14H14O3 |
| Molecular Weight | 230.26 g/mol |
| Exact Mass | 230.09 |
| IUPAC Name | [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol |
| SMILES | OCc1ccccc1Oc1ccccc1CO |
| InChI | InChI=1S/C14H14O3/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8,15-16H,9-10H2 |
| InChIKey | VRVKKKKXKVCPEW-UHFFFAOYSA-N |
| XLogP | 2.46 |
| TPSA | 49.69 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 230.26 |
| LogP ≤ 5 | 2.46 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol?
The IUPAC name of [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol (CID 611393) is [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol is OCc1ccccc1Oc1ccccc1CO.
What is the InChIKey of [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol?
The InChIKey is VRVKKKKXKVCPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8,15-16H,9-10H2.
What are the key properties of [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol?
[2-[2-(hydroxymethyl)phenoxy]phenyl]methanol has a molecular weight of 230.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(hydroxymethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 611393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).