1-Methyl-4-(prop-2-yn-1-yloxy)benzene
TL;DR: 1-Methyl-4-(prop-2-yn-1-yloxy)benzene (CAS 5651-90-1) is a chemical compound with molecular formula C10H10O and molecular weight 146.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-prop-2-ynoxybenzene
Also Known As: 1-methyl-4-(prop-2-yn-1-yloxy)benzene, p-Propargyloxytoluene, 4-Methyl-phenyl propargyl ether, 1-methyl-4-prop-2-ynoxybenzene, 1-METHYL-4-PROP-2-YNOXY-BENZENE
| Molecular Formula | C10H10O |
|---|---|
| Molecular Weight | 146.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.07317 |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 5651-90-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC#C |
| InChIKey | YGUJJONWSYYYRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-(prop-2-yn-1-yloxy)benzene (CAS 5651-90-1), with molecular formula C10H10O and molecular weight 146.07 g/mol. IUPAC: 1-methyl-4-prop-2-ynoxybenzene.
Chemical Property Profile of 1-Methyl-4-(prop-2-yn-1-yloxy)benzene
Property Insights of 1-Methyl-4-(prop-2-yn-1-yloxy)benzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(prop-2-yn-1-yloxy)benzene. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Methyl-4-(prop-2-yn-1-yloxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-(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-Methyl-4-(prop-2-yn-1-yloxy)benzene?
The CAS number of 1-Methyl-4-(prop-2-yn-1-yloxy)benzene is 5651-90-1.
What is the molecular formula of 1-Methyl-4-(prop-2-yn-1-yloxy)benzene?
The molecular formula of 1-Methyl-4-(prop-2-yn-1-yloxy)benzene is C10H10O.
What is the molecular weight of 1-Methyl-4-(prop-2-yn-1-yloxy)benzene?
The molecular weight of 1-Methyl-4-(prop-2-yn-1-yloxy)benzene is 146.07 g/mol.
Where can I buy 1-Methyl-4-(prop-2-yn-1-yloxy)benzene?
You can request a quote for 1-Methyl-4-(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-Methyl-4-(prop-2-yn-1-yloxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(prop-2-yn-1-yloxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.