3-Hydroxyacetophenone
TL;DR: 3-Hydroxyacetophenone (CAS 121-71-1) is a chemical compound with molecular formula C8H8O2 and molecular weight 136.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-hydroxyphenyl)ethanone
Also Known As: 3'-Hydroxyacetophenone, 3-Hydroxyacetophenone, 1-(3-Hydroxyphenyl)ethanone, m-Hydroxyacetophenone, m-Acetylphenol
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O2 |
| Molecular Weight | 136.05243 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.05243 Da |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
| Vapor Pressure | 0.00748 [mmHg] |
| SMILES | CC(=O)C1=CC(=CC=C1)O |
| InChIKey | LUJMEECXHPYQOF-UHFFFAOYSA-N |
Product Description
Applications: 3-Hydroxyacetophenone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Hydroxyacetophenone (CAS 121-71-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Hydroxyacetophenone (CAS 121-71-1) is a heterocyclic building block with the molecular formula C8H8O2 and a molecular weight of 136.05 g/mol. It is also known as 3'-Hydroxyacetophenone and 3-Hydroxyacetophenone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Hydroxyacetophenone
Property Insights of 3-Hydroxyacetophenone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxyacetophenone. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxyacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxyacetophenone has 1 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 3-Hydroxyacetophenone?
The CAS number of 3-Hydroxyacetophenone is 121-71-1.
What is the molecular formula of 3-Hydroxyacetophenone?
The molecular formula of 3-Hydroxyacetophenone is C8H8O2.
What is the molecular weight of 3-Hydroxyacetophenone?
The molecular weight of 3-Hydroxyacetophenone is 136.05243 g/mol.
What are the applications of 3-Hydroxyacetophenone?
3-Hydroxyacetophenone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Hydroxyacetophenone (CAS...
Where can I buy 3-Hydroxyacetophenone?
You can request a quote for 3-Hydroxyacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxyacetophenone?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxyacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.