About 4-methyl-3-(2-methylphenyl)naphthalen-1-ol
4-methyl-3-(2-methylphenyl)naphthalen-1-ol (PubChem CID 15529587) has the molecular formula C18H16O
and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-methyl-3-(2-methylphenyl)naphthalen-1-ol.
Molecular Properties
| Compound Name | 4-methyl-3-(2-methylphenyl)naphthalen-1-ol |
| PubChem CID | 15529587 |
| Molecular Formula | C18H16O |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.12 |
| IUPAC Name | 4-methyl-3-(2-methylphenyl)naphthalen-1-ol |
| SMILES | Cc1ccccc1-c1cc(O)c2ccccc2c1C |
| InChI | InChI=1S/C18H16O/c1-12-7-3-4-8-14(12)17-11-18(19)16-10-6-5-9-15(16)13(17)2/h3-11,19H,1-2H3 |
| InChIKey | OIYNKHQZKKHYDG-UHFFFAOYSA-N |
| XLogP | 4.83 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 248.32 |
| LogP ≤ 5 | 4.83 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 4-methyl-3-(2-methylphenyl)naphthalen-1-ol?
The IUPAC name of 4-methyl-3-(2-methylphenyl)naphthalen-1-ol (CID 15529587) is 4-methyl-3-(2-methylphenyl)naphthalen-1-ol.
What is the SMILES notation for 4-methyl-3-(2-methylphenyl)naphthalen-1-ol?
The canonical SMILES for 4-methyl-3-(2-methylphenyl)naphthalen-1-ol is Cc1ccccc1-c1cc(O)c2ccccc2c1C.
What is the InChIKey of 4-methyl-3-(2-methylphenyl)naphthalen-1-ol?
The InChIKey is OIYNKHQZKKHYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-12-7-3-4-8-14(12)17-11-18(19)16-10-6-5-9-15(16)13(17)2/h3-11,19H,1-2H3.
What are the key properties of 4-methyl-3-(2-methylphenyl)naphthalen-1-ol?
4-methyl-3-(2-methylphenyl)naphthalen-1-ol has a molecular weight of 248.32 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylphenyl)naphthalen-1-ol is sourced from PubChem (CID 15529587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).