2-Chloro-3,4-dimethylphenol
TL;DR: 2-Chloro-3,4-dimethylphenol (CAS 110577-66-7) 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-3,4-dimethylphenol
Also Known As: 2-Chloro-3,4-dimethylphenol, Phenol,4-dimethyl-, 2-Chloro-3,4-xylenol, 3,4-Dimethyl-2-chlorophenol, 3, 2-chloro-
| 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 | 110577-66-7 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)O)Cl)C |
| InChIKey | LOAXBLCSZPWRHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-3,4-dimethylphenol (CAS 110577-66-7), with molecular formula C8H9ClO and molecular weight 156.03 g/mol. IUPAC: 2-chloro-3,4-dimethylphenol.
Chemical Property Profile of 2-Chloro-3,4-dimethylphenol
Property Insights of 2-Chloro-3,4-dimethylphenol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3,4-dimethylphenol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Chloro-3,4-dimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3,4-dimethylphenol 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 2-Chloro-3,4-dimethylphenol?
The CAS number of 2-Chloro-3,4-dimethylphenol is 110577-66-7.
What is the molecular formula of 2-Chloro-3,4-dimethylphenol?
The molecular formula of 2-Chloro-3,4-dimethylphenol is C8H9ClO.
What is the molecular weight of 2-Chloro-3,4-dimethylphenol?
The molecular weight of 2-Chloro-3,4-dimethylphenol is 156.03 g/mol.
Where can I buy 2-Chloro-3,4-dimethylphenol?
You can request a quote for 2-Chloro-3,4-dimethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3,4-dimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3,4-dimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.