2-(3-Chlorobenzyl)-6-methylphenol
TL;DR: 2-(3-Chlorobenzyl)-6-methylphenol (CAS 68517-10-2) is a chemical compound with molecular formula C14H13ClO and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenyl)methyl]-6-methylphenol
Also Known As: 2-(3-chlorobenzyl)-6-methylphenol, 2-[(3-chlorophenyl)methyl]-6-methylphenol
| Molecular Formula | C14H13ClO |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.06549 |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 68517-10-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)CC2=CC(=CC=C2)Cl)O |
| InChIKey | WSSPZTVQKVJBJU-UHFFFAOYSA-N |
Product Overview
2-(3-Chlorobenzyl)-6-methylphenol (CAS 68517-10-2), with molecular formula C14H13ClO and molecular weight 232.07 g/mol. IUPAC: 2-[(3-chlorophenyl)methyl]-6-methylphenol.
Chemical Property Profile of 2-(3-Chlorobenzyl)-6-methylphenol
Property Insights of 2-(3-Chlorobenzyl)-6-methylphenol
The XLogP value of 4.5 indicates that 2-(3-Chlorobenzyl)-6-methylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-(3-Chlorobenzyl)-6-methylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chlorobenzyl)-6-methylphenol 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-(3-Chlorobenzyl)-6-methylphenol?
The CAS number of 2-(3-Chlorobenzyl)-6-methylphenol is 68517-10-2.
What is the molecular formula of 2-(3-Chlorobenzyl)-6-methylphenol?
The molecular formula of 2-(3-Chlorobenzyl)-6-methylphenol is C14H13ClO.
What is the molecular weight of 2-(3-Chlorobenzyl)-6-methylphenol?
The molecular weight of 2-(3-Chlorobenzyl)-6-methylphenol is 232.07 g/mol.
Where can I buy 2-(3-Chlorobenzyl)-6-methylphenol?
You can request a quote for 2-(3-Chlorobenzyl)-6-methylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chlorobenzyl)-6-methylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chlorobenzyl)-6-methylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.