Benzyl isoeugenol
TL;DR: Benzyl isoeugenol (CAS 120-11-6) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-1-phenylmethoxy-4-prop-1-enylbenzene
Also Known As: Benzyl isoeugenol, Benzylisoeugenol, Benzyl eugenol, Benzyl isoeugenol ether, Isoeugenol benzyl ether
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 268.0 |
| Solubility | Insoluble in water, soluble in oils |
Chemical Identifiers
| CAS Number | 120-11-6 |
|---|---|
| SMILES | CC=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC |
| InChIKey | YKSSSKBJDZDZTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl isoeugenol (CAS 120-11-6), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: 2-methoxy-1-phenylmethoxy-4-prop-1-enylbenzene.
Chemical Property Profile of Benzyl isoeugenol
Property Insights of Benzyl isoeugenol
The XLogP value of 4.1 indicates that Benzyl isoeugenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Benzyl isoeugenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl isoeugenol has 0 hydrogen bond donor(s) and 2 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 Benzyl isoeugenol?
The CAS number of Benzyl isoeugenol is 120-11-6.
What is the molecular formula of Benzyl isoeugenol?
The molecular formula of Benzyl isoeugenol is C17H18O2.
What is the molecular weight of Benzyl isoeugenol?
The molecular weight of Benzyl isoeugenol is 254.13 g/mol.
Where can I buy Benzyl isoeugenol?
You can request a quote for Benzyl isoeugenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl isoeugenol?
Yes, KEHONG BIO provides custom synthesis services for Benzyl isoeugenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.