Phenol, 2-chloro-3,5-dimethyl-
TL;DR: Phenol, 2-chloro-3,5-dimethyl- (CAS 5538-41-0) is a chemical compound with molecular formula C8H9ClO and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3,5-dimethylphenol
Also Known As: 2-chloro-3,5-dimethylphenol, 2-Chloro-3,5-xylenol, Phenol, 2-chloro-3,5-dimethyl-, 3,5-Xylenol, 2-chloro-, 4-Chor-5-oxy-m-xylol
| Molecular Formula | C8H9ClO |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.0342 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 5538-41-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)O)Cl)C |
| InChIKey | ZXPLGLMEXWSLCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2-chloro-3,5-dimethyl- (CAS 5538-41-0), with molecular formula C8H9ClO and molecular weight 156.03 g/mol. IUPAC: 2-chloro-3,5-dimethylphenol.
Chemical Property Profile of Phenol, 2-chloro-3,5-dimethyl-
Property Insights of Phenol, 2-chloro-3,5-dimethyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2-chloro-3,5-dimethyl-. With a topological polar surface area (TPSA) of 20.2 Ų, Phenol, 2-chloro-3,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-chloro-3,5-dimethyl- 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
Frequently Asked Questions
What is the CAS number of Phenol, 2-chloro-3,5-dimethyl-?
The CAS number of Phenol, 2-chloro-3,5-dimethyl- is 5538-41-0.
What is the molecular formula of Phenol, 2-chloro-3,5-dimethyl-?
The molecular formula of Phenol, 2-chloro-3,5-dimethyl- is C8H9ClO.
What is the molecular weight of Phenol, 2-chloro-3,5-dimethyl-?
The molecular weight of Phenol, 2-chloro-3,5-dimethyl- is 156.03 g/mol.
Where can I buy Phenol, 2-chloro-3,5-dimethyl-?
You can request a quote for Phenol, 2-chloro-3,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-chloro-3,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-chloro-3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.