Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)-
TL;DR: Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)- (CAS 4732-12-1) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-4-methyl-1-propan-2-ylbenzene
Also Known As: O-ethylmenthol, Thymyl ethyl ether, Thymolathylather, 2-Isopropyl-5-methylphenetole, Ethylthymyl ether
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 4732-12-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C)C(C)C |
| InChIKey | XBHCIDWYCKQMQS-UHFFFAOYSA-N |
Product Overview
Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)- (CAS 4732-12-1), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2-ethoxy-4-methyl-1-propan-2-ylbenzene.
Chemical Property Profile of Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)-
Property Insights of Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)-
The XLogP value of 4.1 indicates that Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)- 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, 2-ethoxy-4-methyl-1-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)- 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, 2-ethoxy-4-methyl-1-(1-methylethyl)-?
The CAS number of Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)- is 4732-12-1.
What is the molecular formula of Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)-?
The molecular formula of Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)- is C12H18O.
What is the molecular weight of Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)-?
The molecular weight of Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)- is 178.14 g/mol.
Where can I buy Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)-?
You can request a quote for Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 2-ethoxy-4-methyl-1-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.