6-Phenyl-5-hexyn-3-ol
TL;DR: 6-Phenyl-5-hexyn-3-ol (CAS 172982-65-9) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-phenylhex-5-yn-3-ol
Also Known As: 6-Phenyl-5-hexyn-3-ol, 6-phenylhex-5-yn-3-ol, 1-phenyl-1-hexyn-4-ol, 1-Phenyl-1-hexyne-4-ol, 6-Phenyl-5-hexyne-3-ol
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 172982-65-9 |
|---|---|
| SMILES | CCC(CC#CC1=CC=CC=C1)O |
| InChIKey | JVUYLVMRBQNROA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Phenyl-5-hexyn-3-ol (CAS 172982-65-9), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 6-phenylhex-5-yn-3-ol.
Chemical Property Profile of 6-Phenyl-5-hexyn-3-ol
Property Insights of 6-Phenyl-5-hexyn-3-ol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Phenyl-5-hexyn-3-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 6-Phenyl-5-hexyn-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Phenyl-5-hexyn-3-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Phenyl-5-hexyn-3-ol?
The CAS number of 6-Phenyl-5-hexyn-3-ol is 172982-65-9.
What is the molecular formula of 6-Phenyl-5-hexyn-3-ol?
The molecular formula of 6-Phenyl-5-hexyn-3-ol is C12H14O.
What is the molecular weight of 6-Phenyl-5-hexyn-3-ol?
The molecular weight of 6-Phenyl-5-hexyn-3-ol is 174.10 g/mol.
Where can I buy 6-Phenyl-5-hexyn-3-ol?
You can request a quote for 6-Phenyl-5-hexyn-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Phenyl-5-hexyn-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 6-Phenyl-5-hexyn-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.