About 1-(4-chloro-2-phenylphenyl)naphthalene
1-(4-chloro-2-phenylphenyl)naphthalene (PubChem CID 163255490) has the molecular formula C22H15Cl
and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-(4-chloro-2-phenylphenyl)naphthalene.
Molecular Properties
| Compound Name | 1-(4-chloro-2-phenylphenyl)naphthalene |
| PubChem CID | 163255490 |
| Molecular Formula | C22H15Cl |
| Molecular Weight | 314.82 g/mol |
| Exact Mass | 314.09 |
| IUPAC Name | 1-(4-chloro-2-phenylphenyl)naphthalene |
| SMILES | Clc1ccc(-c2cccc3ccccc23)c(-c2ccccc2)c1 |
| InChI | InChI=1S/C22H15Cl/c23-18-13-14-21(22(15-18)17-7-2-1-3-8-17)20-12-6-10-16-9-4-5-11-19(16)20/h1-15H |
| InChIKey | BXCWBLZCZUKALI-UHFFFAOYSA-N |
| XLogP | 6.83 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 2 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 314.82 |
| LogP ≤ 5 | 6.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 1-(4-chloro-2-phenylphenyl)naphthalene?
The IUPAC name of 1-(4-chloro-2-phenylphenyl)naphthalene (CID 163255490) is 1-(4-chloro-2-phenylphenyl)naphthalene.
What is the SMILES notation for 1-(4-chloro-2-phenylphenyl)naphthalene?
The canonical SMILES for 1-(4-chloro-2-phenylphenyl)naphthalene is Clc1ccc(-c2cccc3ccccc23)c(-c2ccccc2)c1.
What is the InChIKey of 1-(4-chloro-2-phenylphenyl)naphthalene?
The InChIKey is BXCWBLZCZUKALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl/c23-18-13-14-21(22(15-18)17-7-2-1-3-8-17)20-12-6-10-16-9-4-5-11-19(16)20/h1-15H.
What are the key properties of 1-(4-chloro-2-phenylphenyl)naphthalene?
1-(4-chloro-2-phenylphenyl)naphthalene has a molecular weight of 314.82 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-phenylphenyl)naphthalene is sourced from PubChem (CID 163255490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).