3-Hydroxy-3-phenyl-1-butyne
TL;DR: 3-Hydroxy-3-phenyl-1-butyne (CAS 127-66-2) is a chemical compound with molecular formula C10H10O and molecular weight 146.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylbut-3-yn-2-ol
Also Known As: 2-Phenyl-3-butyn-2-ol, 2-Phenylbut-3-yn-2-ol, Methylphenylethynylcarbinol, 3-Hydroxy-3-phenyl-1-butyne, 3-Butyn-2-ol, 2-phenyl-
| Molecular Formula | C10H10O |
|---|---|
| Molecular Weight | 146.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.07317 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 127-66-2 |
|---|---|
| SMILES | CC(C#C)(C1=CC=CC=C1)O |
| InChIKey | KSLSOBUAIFEGLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-3-phenyl-1-butyne (CAS 127-66-2), with molecular formula C10H10O and molecular weight 146.07 g/mol. IUPAC: 2-phenylbut-3-yn-2-ol.
Chemical Property Profile of 3-Hydroxy-3-phenyl-1-butyne
Property Insights of 3-Hydroxy-3-phenyl-1-butyne
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-3-phenyl-1-butyne. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Hydroxy-3-phenyl-1-butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-3-phenyl-1-butyne 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 3-Hydroxy-3-phenyl-1-butyne?
The CAS number of 3-Hydroxy-3-phenyl-1-butyne is 127-66-2.
What is the molecular formula of 3-Hydroxy-3-phenyl-1-butyne?
The molecular formula of 3-Hydroxy-3-phenyl-1-butyne is C10H10O.
What is the molecular weight of 3-Hydroxy-3-phenyl-1-butyne?
The molecular weight of 3-Hydroxy-3-phenyl-1-butyne is 146.07 g/mol.
Where can I buy 3-Hydroxy-3-phenyl-1-butyne?
You can request a quote for 3-Hydroxy-3-phenyl-1-butyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-3-phenyl-1-butyne?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-3-phenyl-1-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.