1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene
TL;DR: 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene (CAS 99864-96-7) is a chemical compound with molecular formula C11H12O and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-prop-2-ynoxybenzene
Also Known As: NCIOpen2_001145, 1,3-dimethyl-5-prop-2-ynoxybenzene, 1,3-dimethyl-5-(prop-2-yn-1-yloxy)benzene, 1,3-di-methyl-5-(prop-2-yn-1-yloxy)benzene
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 99864-96-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC#C)C |
| InChIKey | CFFVKDZOHXZSBR-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene (CAS 99864-96-7), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: 1,3-dimethyl-5-prop-2-ynoxybenzene.
Chemical Property Profile of 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene
Property Insights of 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene. With a topological polar surface area (TPSA) of 9.2 Ų, 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene has 0 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 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene?
The CAS number of 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene is 99864-96-7.
What is the molecular formula of 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene?
The molecular formula of 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene is C11H12O.
What is the molecular weight of 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene?
The molecular weight of 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene is 160.09 g/mol.
Where can I buy 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene?
You can request a quote for 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-5-(prop-2-yn-1-yloxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.