2-Phenylacetophenone
TL;DR: 2-Phenylacetophenone (CAS 451-40-1) is a chemical compound with molecular formula C14H12O and molecular weight 196.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-diphenylethanone
Also Known As: Deoxybenzoin, 2-Phenylacetophenone, 1,2-Diphenylethanone, Benzyl phenyl ketone, DESOXYBENZOIN
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H12O |
| Molecular Weight | 196.08882 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.08882 Da |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
| SMILES | C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2 |
| InChIKey | OTKCEEWUXHVZQI-UHFFFAOYSA-N |
Product Description
Applications: 2-Phenylacetophenone 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-Phenylacetophenone is a heterocyclic building block identified by CAS number 451-40-1 and the molecular formula C14H12O and a molecular weight of 196.09 g/mol. Synonyms include Deoxybenzoin and 2-Phenylacetophenone.
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 2-Phenylacetophenone
Property Insights of 2-Phenylacetophenone
The XLogP value of 3.2 indicates that 2-Phenylacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Phenylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylacetophenone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Phenylacetophenone?
The CAS number of 2-Phenylacetophenone is 451-40-1.
What is the molecular formula of 2-Phenylacetophenone?
The molecular formula of 2-Phenylacetophenone is C14H12O.
What is the molecular weight of 2-Phenylacetophenone?
The molecular weight of 2-Phenylacetophenone is 196.08882 g/mol.
What are the applications of 2-Phenylacetophenone?
2-Phenylacetophenone 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. Available from CoreyChem as both catalog item and...
Where can I buy 2-Phenylacetophenone?
You can request a quote for 2-Phenylacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenylacetophenone?
Yes, CoreyChem provides custom synthesis services for 2-Phenylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.