alpha-Ethynylbenzenemethanol
TL;DR: alpha-Ethynylbenzenemethanol (CAS 4187-87-5) is a chemical compound with molecular formula C9H8O and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylprop-2-yn-1-ol
Also Known As: 1-Phenyl-2-propyn-1-ol, 1-Phenylprop-2-yn-1-ol, 1-Phenylpropargyl alcohol, Ethynylphenylcarbinol, Phenylethynylcarbinol
| Molecular Formula | C9H8O |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.05751 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 4187-87-5 |
|---|---|
| SMILES | C#CC(C1=CC=CC=C1)O |
| InChIKey | UIGLAZDLBZDVBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Ethynylbenzenemethanol (CAS 4187-87-5), with molecular formula C9H8O and molecular weight 132.06 g/mol. IUPAC: 1-phenylprop-2-yn-1-ol.
Chemical Property Profile of alpha-Ethynylbenzenemethanol
Property Insights of alpha-Ethynylbenzenemethanol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Ethynylbenzenemethanol. With a topological polar surface area (TPSA) of 20.2 Ų, alpha-Ethynylbenzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Ethynylbenzenemethanol 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 alpha-Ethynylbenzenemethanol?
The CAS number of alpha-Ethynylbenzenemethanol is 4187-87-5.
What is the molecular formula of alpha-Ethynylbenzenemethanol?
The molecular formula of alpha-Ethynylbenzenemethanol is C9H8O.
What is the molecular weight of alpha-Ethynylbenzenemethanol?
The molecular weight of alpha-Ethynylbenzenemethanol is 132.06 g/mol.
Where can I buy alpha-Ethynylbenzenemethanol?
You can request a quote for alpha-Ethynylbenzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Ethynylbenzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-Ethynylbenzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.