3-Methoxyacetophenone
TL;DR: 3-Methoxyacetophenone (CAS 586-37-8) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methoxyphenyl)ethanone
Also Known As: 3'-Methoxyacetophenone, 3-Methoxyacetophenone, 3-Acetylanisole, m-Methoxyacetophenone, m-Acetylanisole
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
| Vapor Pressure | 0.08 [mmHg] |
Chemical Identifiers
| CAS Number | 586-37-8 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)OC |
| InChIKey | BAYUSCHCCGXLAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxyacetophenone (CAS 586-37-8), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: 1-(3-methoxyphenyl)ethanone.
Chemical Property Profile of 3-Methoxyacetophenone
Property Insights of 3-Methoxyacetophenone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxyacetophenone. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methoxyacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxyacetophenone 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 3-Methoxyacetophenone?
The CAS number of 3-Methoxyacetophenone is 586-37-8.
What is the molecular formula of 3-Methoxyacetophenone?
The molecular formula of 3-Methoxyacetophenone is C9H10O2.
What is the molecular weight of 3-Methoxyacetophenone?
The molecular weight of 3-Methoxyacetophenone is 150.07 g/mol.
Where can I buy 3-Methoxyacetophenone?
You can request a quote for 3-Methoxyacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxyacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxyacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.