Phenol, 3-chloro-4-methyl-, acetate
TL;DR: Phenol, 3-chloro-4-methyl-, acetate (CAS 129930-85-4) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.02911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-chloro-4-methylphenyl) acetate
Also Known As: 3-Chloro-4-methylphenyl acetate, 4-Acetoxy-2-chlorotoluene, (3-chloro-4-methylphenyl) acetate, 3-Chloro-4-methylphenol 1-acetate, 3-Chloro-4-methylphenyl acetate #
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.02911 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.02911 Da |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
| SMILES | CC1=C(C=C(C=C1)OC(=O)C)Cl |
| InChIKey | GWZZIAIDECRFAH-UHFFFAOYSA-N |
Chemical Property Profile of Phenol, 3-chloro-4-methyl-, acetate
Property Insights of Phenol, 3-chloro-4-methyl-, acetate
The XLogP value of 3.4 indicates that Phenol, 3-chloro-4-methyl-, acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenol, 3-chloro-4-methyl-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3-chloro-4-methyl-, acetate 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 Phenol, 3-chloro-4-methyl-, acetate?
The CAS number of Phenol, 3-chloro-4-methyl-, acetate is 129930-85-4.
What is the molecular formula of Phenol, 3-chloro-4-methyl-, acetate?
The molecular formula of Phenol, 3-chloro-4-methyl-, acetate is C9H9ClO2.
What is the molecular weight of Phenol, 3-chloro-4-methyl-, acetate?
The molecular weight of Phenol, 3-chloro-4-methyl-, acetate is 184.02911 g/mol.
Where can I buy Phenol, 3-chloro-4-methyl-, acetate?
You can request a quote for Phenol, 3-chloro-4-methyl-, acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenol, 3-chloro-4-methyl-, acetate?
Yes, CoreyChem provides custom synthesis services for Phenol, 3-chloro-4-methyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.