About 4-[phenoxy(phenyl)methyl]phenol
4-[phenoxy(phenyl)methyl]phenol (PubChem CID 174712499) has the molecular formula C19H16O2
and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-[phenoxy(phenyl)methyl]phenol.
Molecular Properties
| Compound Name | 4-[phenoxy(phenyl)methyl]phenol |
| PubChem CID | 174712499 |
| Molecular Formula | C19H16O2 |
| Molecular Weight | 276.33 g/mol |
| Exact Mass | 276.12 |
| IUPAC Name | 4-[phenoxy(phenyl)methyl]phenol |
| SMILES | Oc1ccc(C(Oc2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C19H16O2/c20-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)21-18-9-5-2-6-10-18/h1-14,19-20H |
| InChIKey | DLTIMIAZVYVUOI-UHFFFAOYSA-N |
| XLogP | 4.56 |
| TPSA | 29.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 276.33 |
| LogP ≤ 5 | 4.56 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-[phenoxy(phenyl)methyl]phenol?
The IUPAC name of 4-[phenoxy(phenyl)methyl]phenol (CID 174712499) is 4-[phenoxy(phenyl)methyl]phenol.
What is the SMILES notation for 4-[phenoxy(phenyl)methyl]phenol?
The canonical SMILES for 4-[phenoxy(phenyl)methyl]phenol is Oc1ccc(C(Oc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[phenoxy(phenyl)methyl]phenol?
The InChIKey is DLTIMIAZVYVUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c20-17-13-11-16(12-14-17)19(15-7-3-1-4-8-15)21-18-9-5-2-6-10-18/h1-14,19-20H.
What are the key properties of 4-[phenoxy(phenyl)methyl]phenol?
4-[phenoxy(phenyl)methyl]phenol has a molecular weight of 276.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[phenoxy(phenyl)methyl]phenol is sourced from PubChem (CID 174712499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).