2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl-
TL;DR: 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl- (CAS 138305-83-6) is a chemical compound with molecular formula C12H15ClO2 and molecular weight 226.07605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chlorophenoxy)-3,3-dimethylbutan-2-one
Also Known As: 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl-, 1-(2-chlorophenoxy)-3,3-dimethylbutan-2-one, 2-Butanone, (chlorophenoxy)-3,3-dimethyl-, 2-Butanone,(chlorophenoxy)-3,3-dimethyl, 1-(2-chlorophenoxy)-3,3-dimethyl-butan-2-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15ClO2 |
| Molecular Weight | 226.07605 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.07605 Da |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
| SMILES | CC(C)(C)C(=O)COC1=CC=CC=C1Cl |
| InChIKey | XKEDMWDAXMGIDX-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl-
Property Insights of 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl-
The XLogP value of 3.4 indicates that 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl- 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 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl-?
The CAS number of 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl- is 138305-83-6.
What is the molecular formula of 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl-?
The molecular formula of 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl- is C12H15ClO2.
What is the molecular weight of 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl-?
The molecular weight of 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl- is 226.07605 g/mol.
Where can I buy 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl-?
You can request a quote for 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl-?
Yes, CoreyChem provides custom synthesis services for 2-Butanone, 1-(chlorophenoxy)-3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.