(3-Methylbutoxy)benzene
TL;DR: (3-Methylbutoxy)benzene (CAS 1129-64-2) 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.
3-methylbutoxybenzene
Also Known As: (3-Methylbutoxy)benzene, 3-methylbutoxybenzene, Ether, isopentyl phenyl, iso-Pentyloxybenzene, Isopentyloxybenzene
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 1129-64-2 |
|---|---|
| SMILES | CC(C)CCOC1=CC=CC=C1 |
| InChIKey | ZSBTVXBAENDZBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Methylbutoxy)benzene (CAS 1129-64-2), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 3-methylbutoxybenzene.
Chemical Property Profile of (3-Methylbutoxy)benzene
Property Insights of (3-Methylbutoxy)benzene
The XLogP value of 4.0 indicates that (3-Methylbutoxy)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, (3-Methylbutoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Methylbutoxy)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 (3-Methylbutoxy)benzene?
The CAS number of (3-Methylbutoxy)benzene is 1129-64-2.
What is the molecular formula of (3-Methylbutoxy)benzene?
The molecular formula of (3-Methylbutoxy)benzene is C11H16O.
What is the molecular weight of (3-Methylbutoxy)benzene?
The molecular weight of (3-Methylbutoxy)benzene is 164.12 g/mol.
Where can I buy (3-Methylbutoxy)benzene?
You can request a quote for (3-Methylbutoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methylbutoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3-Methylbutoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.