2-Methylacetophenone
TL;DR: 2-Methylacetophenone (CAS 577-16-2) is a chemical compound with molecular formula C9H10O and molecular weight 134.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylphenyl)ethanone
Also Known As: 1-(o-Tolyl)ethanone, 2'-METHYLACETOPHENONE, 2-Methylacetophenone, 2-Acetyltoluene, o-Acetyltoluene
| Molecular Formula | C9H10O |
|---|---|
| Molecular Weight | 134.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.07317 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
| Boiling Point | 214.00 °C. @ 760.00 mm Hg |
| Density | 1.023-1.029 |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.526-1.532 |
Chemical Identifiers
| CAS Number | 577-16-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)C |
| InChIKey | YXWWHNCQZBVZPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylacetophenone (CAS 577-16-2), with molecular formula C9H10O and molecular weight 134.07 g/mol. IUPAC: 1-(2-methylphenyl)ethanone.
Chemical Property Profile of 2-Methylacetophenone
Property Insights of 2-Methylacetophenone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylacetophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylacetophenone 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
Frequently Asked Questions
What is the CAS number of 2-Methylacetophenone?
The CAS number of 2-Methylacetophenone is 577-16-2.
What is the molecular formula of 2-Methylacetophenone?
The molecular formula of 2-Methylacetophenone is C9H10O.
What is the molecular weight of 2-Methylacetophenone?
The molecular weight of 2-Methylacetophenone is 134.07 g/mol.
Where can I buy 2-Methylacetophenone?
You can request a quote for 2-Methylacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.