Benzene, 1-methoxy-2-pentyl-
TL;DR: Benzene, 1-methoxy-2-pentyl- (CAS 20056-56-8) 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.
1-methoxy-2-pentylbenzene
Also Known As: o-Pentylanisole, Anisole, o-pentyl-, 2-Pentylanisole, 1-Methoxy-2-pentylbenzene, Benzene, 1-methoxy-2-pentyl-
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 4.8 |
| 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 | 122.0 |
Chemical Identifiers
| CAS Number | 20056-56-8 |
|---|---|
| SMILES | CCCCCC1=CC=CC=C1OC |
| InChIKey | VCZNMYVLWZVFNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methoxy-2-pentyl- (CAS 20056-56-8), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 1-methoxy-2-pentylbenzene.
Chemical Property Profile of Benzene, 1-methoxy-2-pentyl-
Property Insights of Benzene, 1-methoxy-2-pentyl-
The XLogP value of 4.8 indicates that Benzene, 1-methoxy-2-pentyl- 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-methoxy-2-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methoxy-2-pentyl- 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-methoxy-2-pentyl-?
The CAS number of Benzene, 1-methoxy-2-pentyl- is 20056-56-8.
What is the molecular formula of Benzene, 1-methoxy-2-pentyl-?
The molecular formula of Benzene, 1-methoxy-2-pentyl- is C12H18O.
What is the molecular weight of Benzene, 1-methoxy-2-pentyl-?
The molecular weight of Benzene, 1-methoxy-2-pentyl- is 178.14 g/mol.
Where can I buy Benzene, 1-methoxy-2-pentyl-?
You can request a quote for Benzene, 1-methoxy-2-pentyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methoxy-2-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methoxy-2-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.