o-Anisalacetone
TL;DR: o-Anisalacetone (CAS 10542-87-7) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-methoxyphenyl)but-3-en-2-one
Also Known As: o-anisalacetone, 2-methoxybenzalacetone, o-methoxybenzylidene acetone, 4-(2-Methoxyphenyl)but-3-en-2-one, 4-(2-methoxyphenyl)-3-buten-2-one
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.08372 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 Da |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
| SMILES | CC(=O)C=CC1=CC=CC=C1OC |
| InChIKey | BTSZEPMWUWYLCP-UHFFFAOYSA-N |
Chemical Property Profile of o-Anisalacetone
Property Insights of o-Anisalacetone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Anisalacetone. With a topological polar surface area (TPSA) of 26.3 Ų, o-Anisalacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Anisalacetone 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 o-Anisalacetone?
The CAS number of o-Anisalacetone is 10542-87-7.
What is the molecular formula of o-Anisalacetone?
The molecular formula of o-Anisalacetone is C11H12O2.
What is the molecular weight of o-Anisalacetone?
The molecular weight of o-Anisalacetone is 176.08372 g/mol.
Where can I buy o-Anisalacetone?
You can request a quote for o-Anisalacetone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Anisalacetone?
Yes, CoreyChem provides custom synthesis services for o-Anisalacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.