3-Pentyn-2-ol, 2-methyl-5-phenoxy-
TL;DR: 3-Pentyn-2-ol, 2-methyl-5-phenoxy- (CAS 16488-98-5) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-phenoxypent-3-yn-2-ol
Also Known As: 2-methyl-5-phenoxypent-3-yn-2-ol, 3-Pentyn-2-ol, 2-methyl-5-phenoxy-,, 3-Pentyn-2-ol, 2-methyl-5-phenoxy-, 2-methyl-5-phenoxy-3-pentyn-2-ol, 5-Phenyloxy-2-methyl-pentin-(3)-ol-(2)
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 16488-98-5 |
|---|---|
| SMILES | CC(C)(C#CCOC1=CC=CC=C1)O |
| InChIKey | YQBNDHADCCFJJQ-UHFFFAOYSA-N |
Product Overview
3-Pentyn-2-ol, 2-methyl-5-phenoxy- (CAS 16488-98-5), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 2-methyl-5-phenoxypent-3-yn-2-ol.
Chemical Property Profile of 3-Pentyn-2-ol, 2-methyl-5-phenoxy-
Property Insights of 3-Pentyn-2-ol, 2-methyl-5-phenoxy-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentyn-2-ol, 2-methyl-5-phenoxy-. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Pentyn-2-ol, 2-methyl-5-phenoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentyn-2-ol, 2-methyl-5-phenoxy- has 1 hydrogen bond donor(s) and 2 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-Pentyn-2-ol, 2-methyl-5-phenoxy-?
The CAS number of 3-Pentyn-2-ol, 2-methyl-5-phenoxy- is 16488-98-5.
What is the molecular formula of 3-Pentyn-2-ol, 2-methyl-5-phenoxy-?
The molecular formula of 3-Pentyn-2-ol, 2-methyl-5-phenoxy- is C12H14O2.
What is the molecular weight of 3-Pentyn-2-ol, 2-methyl-5-phenoxy-?
The molecular weight of 3-Pentyn-2-ol, 2-methyl-5-phenoxy- is 190.10 g/mol.
Where can I buy 3-Pentyn-2-ol, 2-methyl-5-phenoxy-?
You can request a quote for 3-Pentyn-2-ol, 2-methyl-5-phenoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentyn-2-ol, 2-methyl-5-phenoxy-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentyn-2-ol, 2-methyl-5-phenoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.