About [2-(1-phenylpentyl)phenyl]methanol
[2-(1-phenylpentyl)phenyl]methanol (PubChem CID 10587076) has the molecular formula C18H22O
and a molecular weight of 254.37 g/mol. Its IUPAC name is [2-(1-phenylpentyl)phenyl]methanol.
Molecular Properties
| Compound Name | [2-(1-phenylpentyl)phenyl]methanol |
| PubChem CID | 10587076 |
| Molecular Formula | C18H22O |
| Molecular Weight | 254.37 g/mol |
| Exact Mass | 254.17 |
| IUPAC Name | [2-(1-phenylpentyl)phenyl]methanol |
| SMILES | CCCCC(c1ccccc1)c1ccccc1CO |
| InChI | InChI=1S/C18H22O/c1-2-3-12-17(15-9-5-4-6-10-15)18-13-8-7-11-16(18)14-19/h4-11,13,17,19H,2-3,12,14H2,1H3 |
| InChIKey | CPEVTKRWKHRIJV-UHFFFAOYSA-N |
| XLogP | 4.50 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 254.37 |
| LogP ≤ 5 | 4.50 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of [2-(1-phenylpentyl)phenyl]methanol?
The IUPAC name of [2-(1-phenylpentyl)phenyl]methanol (CID 10587076) is [2-(1-phenylpentyl)phenyl]methanol.
What is the SMILES notation for [2-(1-phenylpentyl)phenyl]methanol?
The canonical SMILES for [2-(1-phenylpentyl)phenyl]methanol is CCCCC(c1ccccc1)c1ccccc1CO.
What is the InChIKey of [2-(1-phenylpentyl)phenyl]methanol?
The InChIKey is CPEVTKRWKHRIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-2-3-12-17(15-9-5-4-6-10-15)18-13-8-7-11-16(18)14-19/h4-11,13,17,19H,2-3,12,14H2,1H3.
What are the key properties of [2-(1-phenylpentyl)phenyl]methanol?
[2-(1-phenylpentyl)phenyl]methanol has a molecular weight of 254.37 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylpentyl)phenyl]methanol is sourced from PubChem (CID 10587076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).