4'-Isobutylacetophenone
TL;DR: 4'-Isobutylacetophenone (CAS 38861-78-8) is a chemical compound with molecular formula C12H16O and molecular weight 176.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(2-methylpropyl)phenyl]ethanone
Also Known As: 4'-Isobutylacetophenone, 4-Isobutylacetophenone, p-Isobutylacetophenone, p-iso-Butylacetophenone, 1-(4-Isobutylphenyl)ethanone
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O |
| Molecular Weight | 176.12012 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.12012 Da |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(=O)C |
| InChIKey | KEAGRYYGYWZVPC-UHFFFAOYSA-N |
Chemical Property Profile of 4'-Isobutylacetophenone
Property Insights of 4'-Isobutylacetophenone
The XLogP value of 3.3 indicates that 4'-Isobutylacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4'-Isobutylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Isobutylacetophenone 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 4'-Isobutylacetophenone?
The CAS number of 4'-Isobutylacetophenone is 38861-78-8.
What is the molecular formula of 4'-Isobutylacetophenone?
The molecular formula of 4'-Isobutylacetophenone is C12H16O.
What is the molecular weight of 4'-Isobutylacetophenone?
The molecular weight of 4'-Isobutylacetophenone is 176.12012 g/mol.
Where can I buy 4'-Isobutylacetophenone?
You can request a quote for 4'-Isobutylacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Isobutylacetophenone?
Yes, CoreyChem provides custom synthesis services for 4'-Isobutylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.