2'-Allyloxyacetophenone
TL;DR: 2'-Allyloxyacetophenone (CAS 53327-14-3) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-prop-2-enoxyphenyl)ethanone
Also Known As: 2'-(Allyloxy)acetophenone, 2'-allyloxyacetophenone, o-allyloxyacetophenone, 1-(2-prop-2-enoxyphenyl)ethanone, 2-allyloxyacetophenone
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 53327-14-3 |
|---|---|
| SMILES | CC(=O)C1=CC=CC=C1OCC=C |
| InChIKey | FJRGLCZRSCMXSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Allyloxyacetophenone (CAS 53327-14-3), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 1-(2-prop-2-enoxyphenyl)ethanone.
Chemical Property Profile of 2'-Allyloxyacetophenone
Property Insights of 2'-Allyloxyacetophenone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Allyloxyacetophenone. With a topological polar surface area (TPSA) of 26.3 Ų, 2'-Allyloxyacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Allyloxyacetophenone 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 2'-Allyloxyacetophenone?
The CAS number of 2'-Allyloxyacetophenone is 53327-14-3.
What is the molecular formula of 2'-Allyloxyacetophenone?
The molecular formula of 2'-Allyloxyacetophenone is C11H12O2.
What is the molecular weight of 2'-Allyloxyacetophenone?
The molecular weight of 2'-Allyloxyacetophenone is 176.08 g/mol.
Where can I buy 2'-Allyloxyacetophenone?
You can request a quote for 2'-Allyloxyacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Allyloxyacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2'-Allyloxyacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.