About 4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol
4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol (PubChem CID 6476758) has the molecular formula C23H23NO
and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol.
Molecular Properties
| Compound Name | 4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol |
| PubChem CID | 6476758 |
| Molecular Formula | C23H23NO |
| Molecular Weight | 329.44 g/mol |
| Exact Mass | 329.18 |
| IUPAC Name | 4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol |
| SMILES | CN(C)C/C=C(\c1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 |
| InChI | InChI=1S/C23H23NO/c1-24(2)17-16-23(21-12-14-22(25)15-13-21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16,25H,17H2,1-2H3/b23-16- |
| InChIKey | ZAQQSTIAANFZPI-KQWNVCNZSA-N |
| XLogP | 5.05 |
| TPSA | 23.47 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 329.44 |
| LogP ≤ 5 | 5.05 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol?
The IUPAC name of 4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol (CID 6476758) is 4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol is CN(C)C/C=C(\c1ccc(O)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol?
The InChIKey is ZAQQSTIAANFZPI-KQWNVCNZSA-N. The full InChI is InChI=1S/C23H23NO/c1-24(2)17-16-23(21-12-14-22(25)15-13-21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16,25H,17H2,1-2H3/b23-16-.
What are the key properties of 4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol?
4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol has a molecular weight of 329.44 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-(dimethylamino)-1-(4-phenylphenyl)prop-1-enyl]phenol is sourced from PubChem (CID 6476758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).