Benzene, 1-(1,1-dimethylethoxy)-3-methyl-
TL;DR: Benzene, 1-(1,1-dimethylethoxy)-3-methyl- (CAS 15359-97-4) 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.
1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene
Also Known As: 3-T-BUTOXYTOLUENE, m-tert-Butoxytoluene, Ether, tert-butyl m-tolyl, 1-(tert-butoxy)-3-methylbenzene, Metacresol Impurity 21
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 3.6 |
| 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 | 134.0 |
Chemical Identifiers
| CAS Number | 15359-97-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(C)(C)C |
| InChIKey | XPILIICSUJKOEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-(1,1-dimethylethoxy)-3-methyl- (CAS 15359-97-4), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene.
Chemical Property Profile of Benzene, 1-(1,1-dimethylethoxy)-3-methyl-
Property Insights of Benzene, 1-(1,1-dimethylethoxy)-3-methyl-
The XLogP value of 3.6 indicates that Benzene, 1-(1,1-dimethylethoxy)-3-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Benzene, 1-(1,1-dimethylethoxy)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(1,1-dimethylethoxy)-3-methyl- 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 Benzene, 1-(1,1-dimethylethoxy)-3-methyl-?
The CAS number of Benzene, 1-(1,1-dimethylethoxy)-3-methyl- is 15359-97-4.
What is the molecular formula of Benzene, 1-(1,1-dimethylethoxy)-3-methyl-?
The molecular formula of Benzene, 1-(1,1-dimethylethoxy)-3-methyl- is C11H16O.
What is the molecular weight of Benzene, 1-(1,1-dimethylethoxy)-3-methyl-?
The molecular weight of Benzene, 1-(1,1-dimethylethoxy)-3-methyl- is 164.12 g/mol.
Where can I buy Benzene, 1-(1,1-dimethylethoxy)-3-methyl-?
You can request a quote for Benzene, 1-(1,1-dimethylethoxy)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(1,1-dimethylethoxy)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(1,1-dimethylethoxy)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.