About 2-ethyl-3-(2-methylphenyl)naphthalene
2-ethyl-3-(2-methylphenyl)naphthalene (PubChem CID 148544062) has the molecular formula C19H18
and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-ethyl-3-(2-methylphenyl)naphthalene.
Molecular Properties
| Compound Name | 2-ethyl-3-(2-methylphenyl)naphthalene |
| PubChem CID | 148544062 |
| Molecular Formula | C19H18 |
| Molecular Weight | 246.35 g/mol |
| Exact Mass | 246.14 |
| IUPAC Name | 2-ethyl-3-(2-methylphenyl)naphthalene |
| SMILES | CCc1cc2ccccc2cc1-c1ccccc1C |
| InChI | InChI=1S/C19H18/c1-3-15-12-16-9-5-6-10-17(16)13-19(15)18-11-7-4-8-14(18)2/h4-13H,3H2,1-2H3 |
| InChIKey | MSTGJJYAJJWJRF-UHFFFAOYSA-N |
| XLogP | 5.38 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 2 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 246.35 |
| LogP ≤ 5 | 5.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 2-ethyl-3-(2-methylphenyl)naphthalene?
The IUPAC name of 2-ethyl-3-(2-methylphenyl)naphthalene (CID 148544062) is 2-ethyl-3-(2-methylphenyl)naphthalene.
What is the SMILES notation for 2-ethyl-3-(2-methylphenyl)naphthalene?
The canonical SMILES for 2-ethyl-3-(2-methylphenyl)naphthalene is CCc1cc2ccccc2cc1-c1ccccc1C.
What is the InChIKey of 2-ethyl-3-(2-methylphenyl)naphthalene?
The InChIKey is MSTGJJYAJJWJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-3-15-12-16-9-5-6-10-17(16)13-19(15)18-11-7-4-8-14(18)2/h4-13H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-(2-methylphenyl)naphthalene?
2-ethyl-3-(2-methylphenyl)naphthalene has a molecular weight of 246.35 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-methylphenyl)naphthalene is sourced from PubChem (CID 148544062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).