About 3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol
3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol (PubChem CID 137098219) has the molecular formula C15H15NO3
and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol.
Molecular Properties
| Compound Name | 3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol |
| PubChem CID | 137098219 |
| Molecular Formula | C15H15NO3 |
| Molecular Weight | 257.29 g/mol |
| Exact Mass | 257.11 |
| IUPAC Name | 3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol |
| SMILES | COc1ccc(/N=C/c2c(O)cccc2OC)cc1 |
| InChI | InChI=1S/C15H15NO3/c1-18-12-8-6-11(7-9-12)16-10-13-14(17)4-3-5-15(13)19-2/h3-10,17H,1-2H3/b16-10+ |
| InChIKey | HFXLZNBZASMGCK-MHWRWJLKSA-N |
| XLogP | 3.16 |
| TPSA | 51.05 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 257.29 |
| LogP ≤ 5 | 3.16 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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 3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol?
The IUPAC name of 3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol (CID 137098219) is 3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol?
The canonical SMILES for 3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol is COc1ccc(/N=C/c2c(O)cccc2OC)cc1.
What is the InChIKey of 3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol?
The InChIKey is HFXLZNBZASMGCK-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-12-8-6-11(7-9-12)16-10-13-14(17)4-3-5-15(13)19-2/h3-10,17H,1-2H3/b16-10+.
What are the key properties of 3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol?
3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol has a molecular weight of 257.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(4-methoxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 137098219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).