About 4-(naphthalen-2-ylmethylideneamino)phenol
4-(naphthalen-2-ylmethylideneamino)phenol (PubChem CID 619026) has the molecular formula C17H13NO
and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethylideneamino)phenol.
Molecular Properties
| Compound Name | 4-(naphthalen-2-ylmethylideneamino)phenol |
| PubChem CID | 619026 |
| Molecular Formula | C17H13NO |
| Molecular Weight | 247.30 g/mol |
| Exact Mass | 247.10 |
| IUPAC Name | 4-(naphthalen-2-ylmethylideneamino)phenol |
| SMILES | Oc1ccc(/N=C/c2ccc3ccccc3c2)cc1 |
| InChI | InChI=1S/C17H13NO/c19-17-9-7-16(8-10-17)18-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-12,19H/b18-12+ |
| InChIKey | YNUICXHDIPFGBR-LDADJPATSA-N |
| XLogP | 4.30 |
| TPSA | 32.59 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 247.30 |
| LogP ≤ 5 | 4.30 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-(naphthalen-2-ylmethylideneamino)phenol?
The IUPAC name of 4-(naphthalen-2-ylmethylideneamino)phenol (CID 619026) is 4-(naphthalen-2-ylmethylideneamino)phenol.
What is the SMILES notation for 4-(naphthalen-2-ylmethylideneamino)phenol?
The canonical SMILES for 4-(naphthalen-2-ylmethylideneamino)phenol is Oc1ccc(/N=C/c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-(naphthalen-2-ylmethylideneamino)phenol?
The InChIKey is YNUICXHDIPFGBR-LDADJPATSA-N. The full InChI is InChI=1S/C17H13NO/c19-17-9-7-16(8-10-17)18-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-12,19H/b18-12+.
What are the key properties of 4-(naphthalen-2-ylmethylideneamino)phenol?
4-(naphthalen-2-ylmethylideneamino)phenol has a molecular weight of 247.30 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethylideneamino)phenol is sourced from PubChem (CID 619026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).