About 1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol
1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol (PubChem CID 105080198) has the molecular formula C19H24O
and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol.
Molecular Properties
| Compound Name | 1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol |
| PubChem CID | 105080198 |
| Molecular Formula | C19H24O |
| Molecular Weight | 268.40 g/mol |
| Exact Mass | 268.18 |
| IUPAC Name | 1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol |
| SMILES | CCc1ccc(CC(O)CCc2ccccc2C)cc1 |
| InChI | InChI=1S/C19H24O/c1-3-16-8-10-17(11-9-16)14-19(20)13-12-18-7-5-4-6-15(18)2/h4-11,19-20H,3,12-14H2,1-2H3 |
| InChIKey | VEWOYUSFTTYMJI-UHFFFAOYSA-N |
| XLogP | 4.09 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 268.40 |
| LogP ≤ 5 | 4.09 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol?
The IUPAC name of 1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol (CID 105080198) is 1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol?
The canonical SMILES for 1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol is CCc1ccc(CC(O)CCc2ccccc2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol?
The InChIKey is VEWOYUSFTTYMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-3-16-8-10-17(11-9-16)14-19(20)13-12-18-7-5-4-6-15(18)2/h4-11,19-20H,3,12-14H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol?
1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol has a molecular weight of 268.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol is sourced from PubChem (CID 105080198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).