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Benzene, [(2-methylbutoxy)methyl]-
TL;DR: Benzene, [(2-methylbutoxy)methyl]- (CAS 69205-11-4) 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-methylbutoxymethylbenzene
Also Known As: 2-Methylbutyl benzyl ether, -[ methyl]benzene, 2-methylbutoxymethylbenzene, [(2-methylbutoxy)methyl]benzene, ((2-Methylbutoxy)methyl)benzene
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 69205-11-4 |
|---|---|
| SMILES | CCC(C)COCC1=CC=CC=C1 |
| InChIKey | YOANEDOLERYMCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, [(2-methylbutoxy)methyl]- (CAS 69205-11-4), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2-methylbutoxymethylbenzene.
Chemical Property Profile of Benzene, [(2-methylbutoxy)methyl]-
Property Insights of Benzene, [(2-methylbutoxy)methyl]-
The XLogP value of 3.3 indicates that Benzene, [(2-methylbutoxy)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, [(2-methylbutoxy)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [(2-methylbutoxy)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, [(2-methylbutoxy)methyl]-?
The CAS number of Benzene, [(2-methylbutoxy)methyl]- is 69205-11-4.
What is the molecular formula of Benzene, [(2-methylbutoxy)methyl]-?
The molecular formula of Benzene, [(2-methylbutoxy)methyl]- is C12H18O.
What is the molecular weight of Benzene, [(2-methylbutoxy)methyl]-?
The molecular weight of Benzene, [(2-methylbutoxy)methyl]- is 178.14 g/mol.
Where can I buy Benzene, [(2-methylbutoxy)methyl]-?
You can request a quote for Benzene, [(2-methylbutoxy)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [(2-methylbutoxy)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [(2-methylbutoxy)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.