2,5-Dihydro-3-methylanisole
TL;DR: 2,5-Dihydro-3-methylanisole (CAS 13697-84-2) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-5-methylcyclohexa-1,4-diene
Also Known As: 2,5-Dihydro-3-methylanisole, 1-methoxy-5-methylcyclohexa-1,4-diene, 1-Methoxy-5-methyl-1,4-cyclohexadiene, 1,4-Cyclohexadiene, 1-methoxy-5-methyl-, 1,4-Cyclohexadiene,1-methoxy-5-methyl-
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 13697-84-2 |
|---|---|
| SMILES | CC1=CCC=C(C1)OC |
| InChIKey | JHXCCDQIOYRZIM-UHFFFAOYSA-N |
Product Overview
2,5-Dihydro-3-methylanisole (CAS 13697-84-2), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 1-methoxy-5-methylcyclohexa-1,4-diene.
Chemical Property Profile of 2,5-Dihydro-3-methylanisole
Property Insights of 2,5-Dihydro-3-methylanisole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dihydro-3-methylanisole. With a topological polar surface area (TPSA) of 9.2 Ų, 2,5-Dihydro-3-methylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dihydro-3-methylanisole 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 2,5-Dihydro-3-methylanisole?
The CAS number of 2,5-Dihydro-3-methylanisole is 13697-84-2.
What is the molecular formula of 2,5-Dihydro-3-methylanisole?
The molecular formula of 2,5-Dihydro-3-methylanisole is C8H12O.
What is the molecular weight of 2,5-Dihydro-3-methylanisole?
The molecular weight of 2,5-Dihydro-3-methylanisole is 124.09 g/mol.
Where can I buy 2,5-Dihydro-3-methylanisole?
You can request a quote for 2,5-Dihydro-3-methylanisole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dihydro-3-methylanisole?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dihydro-3-methylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.