About (2R)-1-phenylpent-4-en-2-ol
(2R)-1-phenylpent-4-en-2-ol (PubChem CID 11309688) has the molecular formula C11H14O
and a molecular weight of 162.23 g/mol. Its IUPAC name is (2R)-1-phenylpent-4-en-2-ol.
Molecular Properties
| Compound Name | (2R)-1-phenylpent-4-en-2-ol |
| PubChem CID | 11309688 |
| Molecular Formula | C11H14O |
| Molecular Weight | 162.23 g/mol |
| Exact Mass | 162.10 |
| IUPAC Name | (2R)-1-phenylpent-4-en-2-ol |
| SMILES | C=CC[C@@H](O)Cc1ccccc1 |
| InChI | InChI=1S/C11H14O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-5,7-8,11-12H,1,6,9H2/t11-/m1/s1 |
| InChIKey | YQNUFNXWLWCHSH-LLVKDONJSA-N |
| XLogP | 2.17 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 162.23 |
| LogP ≤ 5 | 2.17 |
| 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 (2R)-1-phenylpent-4-en-2-ol?
The IUPAC name of (2R)-1-phenylpent-4-en-2-ol (CID 11309688) is (2R)-1-phenylpent-4-en-2-ol.
What is the SMILES notation for (2R)-1-phenylpent-4-en-2-ol?
The canonical SMILES for (2R)-1-phenylpent-4-en-2-ol is C=CC[C@@H](O)Cc1ccccc1.
What is the InChIKey of (2R)-1-phenylpent-4-en-2-ol?
The InChIKey is YQNUFNXWLWCHSH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14O/c1-2-6-11(12)9-10-7-4-3-5-8-10/h2-5,7-8,11-12H,1,6,9H2/t11-/m1/s1.
What are the key properties of (2R)-1-phenylpent-4-en-2-ol?
(2R)-1-phenylpent-4-en-2-ol has a molecular weight of 162.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenylpent-4-en-2-ol is sourced from PubChem (CID 11309688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).