About 4-methyl-1-phenyl-6-propan-2-ylnaphthalene
4-methyl-1-phenyl-6-propan-2-ylnaphthalene (PubChem CID 157491424) has the molecular formula C20H20
and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-methyl-1-phenyl-6-propan-2-ylnaphthalene.
Molecular Properties
| Compound Name | 4-methyl-1-phenyl-6-propan-2-ylnaphthalene |
| PubChem CID | 157491424 |
| Molecular Formula | C20H20 |
| Molecular Weight | 260.38 g/mol |
| Exact Mass | 260.16 |
| IUPAC Name | 4-methyl-1-phenyl-6-propan-2-ylnaphthalene |
| SMILES | Cc1ccc(-c2ccccc2)c2ccc(C(C)C)cc12 |
| InChI | InChI=1S/C20H20/c1-14(2)17-10-12-19-18(16-7-5-4-6-8-16)11-9-15(3)20(19)13-17/h4-14H,1-3H3 |
| InChIKey | FDGLTMFQDKZYCS-UHFFFAOYSA-N |
| XLogP | 5.94 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 2 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 260.38 |
| LogP ≤ 5 | 5.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 4-methyl-1-phenyl-6-propan-2-ylnaphthalene?
The IUPAC name of 4-methyl-1-phenyl-6-propan-2-ylnaphthalene (CID 157491424) is 4-methyl-1-phenyl-6-propan-2-ylnaphthalene.
What is the SMILES notation for 4-methyl-1-phenyl-6-propan-2-ylnaphthalene?
The canonical SMILES for 4-methyl-1-phenyl-6-propan-2-ylnaphthalene is Cc1ccc(-c2ccccc2)c2ccc(C(C)C)cc12.
What is the InChIKey of 4-methyl-1-phenyl-6-propan-2-ylnaphthalene?
The InChIKey is FDGLTMFQDKZYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-14(2)17-10-12-19-18(16-7-5-4-6-8-16)11-9-15(3)20(19)13-17/h4-14H,1-3H3.
What are the key properties of 4-methyl-1-phenyl-6-propan-2-ylnaphthalene?
4-methyl-1-phenyl-6-propan-2-ylnaphthalene has a molecular weight of 260.38 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-6-propan-2-ylnaphthalene is sourced from PubChem (CID 157491424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).