百里酚甲基醚
TL;DR: 百里酚甲基醚 (CAS 1076-56-8) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
百里酚甲基醚
2-methoxy-4-methyl-1-propan-2-ylbenzene
Also Known As: Thymol methyl ether, 2-Isopropyl-5-methylanisole, O-Methylthymol, Thymyl methyl ether, Methyl thymyl ether
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 131.0 |
| Boiling Point | 214.00 to 216.00 °C. @ 760.00 mm Hg |
| Density | 0.936-0.940 |
| Solubility | Insoluble in water; Soluble in oils |
| Refractive Index | 1.504-1.508 |
Chemical Identifiers
| CAS Number | 1076-56-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC |
| InChIKey | LSQXNMXDFRRDSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
百里酚甲基醚 (CAS 1076-56-8), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 2-methoxy-4-methyl-1-propan-2-ylbenzene.
Chemical Property Profile of 百里酚甲基醚
Property Insights of 百里酚甲基醚
The XLogP value of 3.8 indicates that 百里酚甲基醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 百里酚甲基醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 百里酚甲基醚 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 百里酚甲基醚?
The CAS number of 百里酚甲基醚 is 1076-56-8.
What is the molecular formula of 百里酚甲基醚?
The molecular formula of 百里酚甲基醚 is C11H16O.
What is the molecular weight of 百里酚甲基醚?
The molecular weight of 百里酚甲基醚 is 164.12 g/mol.
Where can I buy 百里酚甲基醚?
You can request a quote for 百里酚甲基醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 百里酚甲基醚?
Yes, KEHONG BIO provides custom synthesis services for 百里酚甲基醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.