About [3-(2-amino-6-methylphenoxy)phenyl]methanol
[3-(2-amino-6-methylphenoxy)phenyl]methanol (PubChem CID 115550948) has the molecular formula C14H15NO2
and a molecular weight of 229.28 g/mol. Its IUPAC name is [3-(2-amino-6-methylphenoxy)phenyl]methanol.
Molecular Properties
| Compound Name | [3-(2-amino-6-methylphenoxy)phenyl]methanol |
| PubChem CID | 115550948 |
| Molecular Formula | C14H15NO2 |
| Molecular Weight | 229.28 g/mol |
| Exact Mass | 229.11 |
| IUPAC Name | [3-(2-amino-6-methylphenoxy)phenyl]methanol |
| SMILES | Cc1cccc(N)c1Oc1cccc(CO)c1 |
| InChI | InChI=1S/C14H15NO2/c1-10-4-2-7-13(15)14(10)17-12-6-3-5-11(8-12)9-16/h2-8,16H,9,15H2,1H3 |
| InChIKey | BUZBXJUJCMPQNX-UHFFFAOYSA-N |
| XLogP | 2.86 |
| TPSA | 55.48 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 229.28 |
| LogP ≤ 5 | 2.86 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [3-(2-amino-6-methylphenoxy)phenyl]methanol?
The IUPAC name of [3-(2-amino-6-methylphenoxy)phenyl]methanol (CID 115550948) is [3-(2-amino-6-methylphenoxy)phenyl]methanol.
What is the SMILES notation for [3-(2-amino-6-methylphenoxy)phenyl]methanol?
The canonical SMILES for [3-(2-amino-6-methylphenoxy)phenyl]methanol is Cc1cccc(N)c1Oc1cccc(CO)c1.
What is the InChIKey of [3-(2-amino-6-methylphenoxy)phenyl]methanol?
The InChIKey is BUZBXJUJCMPQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-4-2-7-13(15)14(10)17-12-6-3-5-11(8-12)9-16/h2-8,16H,9,15H2,1H3.
What are the key properties of [3-(2-amino-6-methylphenoxy)phenyl]methanol?
[3-(2-amino-6-methylphenoxy)phenyl]methanol has a molecular weight of 229.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-6-methylphenoxy)phenyl]methanol is sourced from PubChem (CID 115550948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).