![1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene structure](/static/products/127/127797-63-1.png)
1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene
TL;DR: 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene (CAS 127797-63-1) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2-(2-methylprop-2-enoxy)benzene
Also Known As: 2,6-dimethylphenyl methallyl ether, (2,6-Dimethylphenyl)(2-methylallyl) ether, J1.632.199K, (2,6-dimethylphenyl) [2-(2-methylpropenyl)] ether, 1,3-dimethyl-2-(2-methylprop-2-enoxy)benzene
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 127797-63-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC(=C)C |
| InChIKey | MBLJCVCZQKFIEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene (CAS 127797-63-1), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1,3-dimethyl-2-(2-methylprop-2-enoxy)benzene.
Chemical Property Profile of 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene
Property Insights of 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene
The XLogP value of 4.3 indicates that 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]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-2-[(2-methylprop-2-en-1-yl)oxy]benzene?
The CAS number of 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene is 127797-63-1.
What is the molecular formula of 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene?
The molecular formula of 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene is C12H16O.
What is the molecular weight of 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene?
The molecular weight of 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene is 176.12 g/mol.
Where can I buy 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene?
You can request a quote for 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]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-2-[(2-methylprop-2-en-1-yl)oxy]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-2-[(2-methylprop-2-en-1-yl)oxy]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.