Diphenylethynylcarbinol
TL;DR: Diphenylethynylcarbinol (CAS 3923-52-2) is a chemical compound with molecular formula C15H12O and molecular weight 208.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diphenylprop-2-yn-1-ol
Also Known As: 1,1-Diphenyl-2-propyn-1-ol, 1,1-diphenylprop-2-yn-1-ol, Diphenylethinylcarbinol, Diphenylethynylcarbinol, Ethynyldiphenylmethanol
| Molecular Formula | C15H12O |
|---|---|
| Molecular Weight | 208.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.08882 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 3923-52-2 |
|---|---|
| SMILES | C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O |
| InChIKey | SMCLTAARQYTXLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenylethynylcarbinol (CAS 3923-52-2), with molecular formula C15H12O and molecular weight 208.09 g/mol. IUPAC: 1,1-diphenylprop-2-yn-1-ol.
Chemical Property Profile of Diphenylethynylcarbinol
Property Insights of Diphenylethynylcarbinol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diphenylethynylcarbinol. With a topological polar surface area (TPSA) of 20.2 Ų, Diphenylethynylcarbinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenylethynylcarbinol 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 Diphenylethynylcarbinol?
The CAS number of Diphenylethynylcarbinol is 3923-52-2.
What is the molecular formula of Diphenylethynylcarbinol?
The molecular formula of Diphenylethynylcarbinol is C15H12O.
What is the molecular weight of Diphenylethynylcarbinol?
The molecular weight of Diphenylethynylcarbinol is 208.09 g/mol.
Where can I buy Diphenylethynylcarbinol?
You can request a quote for Diphenylethynylcarbinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenylethynylcarbinol?
Yes, KEHONG BIO provides custom synthesis services for Diphenylethynylcarbinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.