4-(3-Chloropropyl)-2,6-dimethylphenol
TL;DR: 4-(3-Chloropropyl)-2,6-dimethylphenol (CAS 111112-96-0) is a chemical compound with molecular formula C11H15ClO and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloropropyl)-2,6-dimethylphenol
Also Known As: 4-(3-Chloropropyl)-2,6-dimethylphenol, Phenol, 4-(3-chloropropyl)-2,6-dimethyl-, Phenol,4-(3-chloropropyl)-2,6-dimethyl, RefChem:287615
| Molecular Formula | C11H15ClO |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.08115 |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 111112-96-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C)CCCCl |
| InChIKey | AZFRDNMOBIVWDY-UHFFFAOYSA-N |
Product Overview
4-(3-Chloropropyl)-2,6-dimethylphenol (CAS 111112-96-0), with molecular formula C11H15ClO and molecular weight 198.08 g/mol. IUPAC: 4-(3-chloropropyl)-2,6-dimethylphenol.
Chemical Property Profile of 4-(3-Chloropropyl)-2,6-dimethylphenol
Property Insights of 4-(3-Chloropropyl)-2,6-dimethylphenol
The XLogP value of 3.5 indicates that 4-(3-Chloropropyl)-2,6-dimethylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-(3-Chloropropyl)-2,6-dimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Chloropropyl)-2,6-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 4-(3-Chloropropyl)-2,6-dimethylphenol?
The CAS number of 4-(3-Chloropropyl)-2,6-dimethylphenol is 111112-96-0.
What is the molecular formula of 4-(3-Chloropropyl)-2,6-dimethylphenol?
The molecular formula of 4-(3-Chloropropyl)-2,6-dimethylphenol is C11H15ClO.
What is the molecular weight of 4-(3-Chloropropyl)-2,6-dimethylphenol?
The molecular weight of 4-(3-Chloropropyl)-2,6-dimethylphenol is 198.08 g/mol.
Where can I buy 4-(3-Chloropropyl)-2,6-dimethylphenol?
You can request a quote for 4-(3-Chloropropyl)-2,6-dimethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Chloropropyl)-2,6-dimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloropropyl)-2,6-dimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.