Phenol, chloro-5-methyl-2-(1-methylethyl)-
TL;DR: Phenol, chloro-5-methyl-2-(1-methylethyl)- (CAS 12001-44-4) is a chemical compound with molecular formula C10H13ClO and molecular weight 184.06549 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-5-methyl-2-propan-2-ylphenol
Also Known As: 3-Chlorothymol, Thymol, chloro-, Phenol, chloro-5-methyl-2-(1-methylethyl)-, 3-chloro-5-methyl-2-propan-2-ylphenol, 3-chloro-2-isopropyl-5-methyl-phenol
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13ClO |
| Molecular Weight | 184.06549 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.06549 Da |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| SMILES | CC1=CC(=C(C(=C1)Cl)C(C)C)O |
| InChIKey | RPTBHWFXUBPYRT-UHFFFAOYSA-N |
Chemical Property Profile of Phenol, chloro-5-methyl-2-(1-methylethyl)-
Property Insights of Phenol, chloro-5-methyl-2-(1-methylethyl)-
The XLogP value of 3.7 indicates that Phenol, chloro-5-methyl-2-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Phenol, chloro-5-methyl-2-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, chloro-5-methyl-2-(1-methylethyl)- has 1 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 Phenol, chloro-5-methyl-2-(1-methylethyl)-?
The CAS number of Phenol, chloro-5-methyl-2-(1-methylethyl)- is 12001-44-4.
What is the molecular formula of Phenol, chloro-5-methyl-2-(1-methylethyl)-?
The molecular formula of Phenol, chloro-5-methyl-2-(1-methylethyl)- is C10H13ClO.
What is the molecular weight of Phenol, chloro-5-methyl-2-(1-methylethyl)-?
The molecular weight of Phenol, chloro-5-methyl-2-(1-methylethyl)- is 184.06549 g/mol.
Where can I buy Phenol, chloro-5-methyl-2-(1-methylethyl)-?
You can request a quote for Phenol, chloro-5-methyl-2-(1-methylethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenol, chloro-5-methyl-2-(1-methylethyl)-?
Yes, CoreyChem provides custom synthesis services for Phenol, chloro-5-methyl-2-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.