1-Pentyn-3-ol, 3-methyl-1-phenyl-
TL;DR: 1-Pentyn-3-ol, 3-methyl-1-phenyl- (CAS 1966-65-0) 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.
3-methyl-1-phenylpent-1-yn-3-ol
Also Known As: 3-Methyl-1-phenylpent-1-yn-3-ol, 3-Methyl-1-phenyl-1-pentyn-3-ol, 1-Phenyl-3-methyl-1-pentyn-3-ol, 1-Pentyn-3-ol, 3-methyl-1-phenyl-, 3-Methyl-1-phenyl-pent-1-yn-3-ol
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 2.5 |
| 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 | 214.0 |
Chemical Identifiers
| CAS Number | 1966-65-0 |
|---|---|
| SMILES | CCC(C)(C#CC1=CC=CC=C1)O |
| InChIKey | MTBIBEIZKLZPIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Pentyn-3-ol, 3-methyl-1-phenyl- (CAS 1966-65-0), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 3-methyl-1-phenylpent-1-yn-3-ol.
Chemical Property Profile of 1-Pentyn-3-ol, 3-methyl-1-phenyl-
Property Insights of 1-Pentyn-3-ol, 3-methyl-1-phenyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pentyn-3-ol, 3-methyl-1-phenyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Pentyn-3-ol, 3-methyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentyn-3-ol, 3-methyl-1-phenyl- 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 1-Pentyn-3-ol, 3-methyl-1-phenyl-?
The CAS number of 1-Pentyn-3-ol, 3-methyl-1-phenyl- is 1966-65-0.
What is the molecular formula of 1-Pentyn-3-ol, 3-methyl-1-phenyl-?
The molecular formula of 1-Pentyn-3-ol, 3-methyl-1-phenyl- is C12H14O.
What is the molecular weight of 1-Pentyn-3-ol, 3-methyl-1-phenyl-?
The molecular weight of 1-Pentyn-3-ol, 3-methyl-1-phenyl- is 174.10 g/mol.
Where can I buy 1-Pentyn-3-ol, 3-methyl-1-phenyl-?
You can request a quote for 1-Pentyn-3-ol, 3-methyl-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pentyn-3-ol, 3-methyl-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Pentyn-3-ol, 3-methyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.