About 2-phenylchromen-4-imine
2-phenylchromen-4-imine (PubChem CID 7728986) has the molecular formula C15H11NO
and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-phenylchromen-4-imine.
Molecular Properties
| Compound Name | 2-phenylchromen-4-imine |
| PubChem CID | 7728986 |
| Molecular Formula | C15H11NO |
| Molecular Weight | 221.26 g/mol |
| Exact Mass | 221.08 |
| IUPAC Name | 2-phenylchromen-4-imine |
| SMILES | [H]/N=c1\cc(-c2ccccc2)oc2ccccc12 |
| InChI | InChI=1S/C15H11NO/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10,16H/b16-13+ |
| InChIKey | CZWXGGGSHATMTB-DTQAZKPQSA-N |
| XLogP | 3.58 |
| TPSA | 36.99 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 221.26 |
| LogP ≤ 5 | 3.58 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-phenylchromen-4-imine?
The IUPAC name of 2-phenylchromen-4-imine (CID 7728986) is 2-phenylchromen-4-imine.
What is the SMILES notation for 2-phenylchromen-4-imine?
The canonical SMILES for 2-phenylchromen-4-imine is [H]/N=c1\cc(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 2-phenylchromen-4-imine?
The InChIKey is CZWXGGGSHATMTB-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H11NO/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10,16H/b16-13+.
What are the key properties of 2-phenylchromen-4-imine?
2-phenylchromen-4-imine has a molecular weight of 221.26 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylchromen-4-imine is sourced from PubChem (CID 7728986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).