4'-Methoxyacetophenone
TL;DR: 4'-Methoxyacetophenone (CAS 100-06-1) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methoxyphenyl)ethanone
Also Known As: 4'-Methoxyacetophenone, 4-Methoxyacetophenone, 4-Acetylanisole, Acetanisole, Novatone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.06808 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.06808 Da |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
| Melting Point | 38.2 °C |
| Boiling Point | 254 °C |
| Density | 1.0818 g/cu cm at 41 °C |
| Flash Point | 138 °C (280 °F) - open cup |
| Vapor Pressure | 0.00644 [mmHg] |
| Refractive Index | Index of refraction = 1.547 at 41 °C |
| Solubility | Soluble in ethanol, diethyl ether, acetone and chloroform |
| SMILES | CC(=O)C1=CC=C(C=C1)OC |
| InChIKey | NTPLXRHDUXRPNE-UHFFFAOYSA-N |
Product Description
Applications: 4'-Methoxyacetophenone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4'-Methoxyacetophenone is a pharmaceutical intermediate identified by CAS number 100-06-1 and the molecular formula C9H10O2 and a molecular weight of 150.07 g/mol. Physically, the compound has a density of 1.0818 g/cu cm at 41 °C g/cm³, a solubility: Soluble in ethanol, diethyl ether, acetone and chloroform. Synonyms include 4'-Methoxyacetophenone and 4-Methoxyacetophenone.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4'-Methoxyacetophenone
Property Insights of 4'-Methoxyacetophenone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Methoxyacetophenone. With a topological polar surface area (TPSA) of 26.3 Ų, 4'-Methoxyacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-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
What is the CAS number of 4'-Methoxyacetophenone?
The CAS number of 4'-Methoxyacetophenone is 100-06-1.
What is the molecular formula of 4'-Methoxyacetophenone?
The molecular formula of 4'-Methoxyacetophenone is C9H10O2.
What is the molecular weight of 4'-Methoxyacetophenone?
The molecular weight of 4'-Methoxyacetophenone is 150.06808 g/mol.
What are the applications of 4'-Methoxyacetophenone?
4'-Methoxyacetophenone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 4'-Methoxyacetophenone?
You can request a quote for 4'-Methoxyacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Methoxyacetophenone?
Yes, CoreyChem provides custom synthesis services for 4'-Methoxyacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.