About 1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol
1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol (PubChem CID 56984484) has the molecular formula C18H26O
and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol.
Molecular Properties
| Compound Name | 1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol |
| PubChem CID | 56984484 |
| Molecular Formula | C18H26O |
| Molecular Weight | 258.40 g/mol |
| Exact Mass | 258.20 |
| IUPAC Name | 1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol |
| SMILES | CC(=CC1(O)CCCCC1)CCCc1ccccc1 |
| InChI | InChI=1S/C18H26O/c1-16(15-18(19)13-6-3-7-14-18)9-8-12-17-10-4-2-5-11-17/h2,4-5,10-11,15,19H,3,6-9,12-14H2,1H3 |
| InChIKey | UORFDPSAGRLXMJ-UHFFFAOYSA-N |
| XLogP | 4.65 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 258.40 |
| LogP ≤ 5 | 4.65 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol (CID 56984484) is 1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol is CC(=CC1(O)CCCCC1)CCCc1ccccc1.
What is the InChIKey of 1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol?
The InChIKey is UORFDPSAGRLXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-16(15-18(19)13-6-3-7-14-18)9-8-12-17-10-4-2-5-11-17/h2,4-5,10-11,15,19H,3,6-9,12-14H2,1H3.
What are the key properties of 1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol?
1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol has a molecular weight of 258.40 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol is sourced from PubChem (CID 56984484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).