4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol
TL;DR: 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol (CAS 68608-12-8) is a chemical compound with molecular formula C11H12Cl2O and molecular weight 230.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-3-methyl-2-(2-methylprop-2-enyl)phenol
Also Known As: NCIOpen2_006514, 4,6-dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol, 4,6-dichloro-3-methyl-2-(2-methylprop-2-enyl)phenol, 2,4-Dichlor-5-methyl-6-(beta-methyl-allyl)-phenol, Phenol,4,6-dichloro-3-methyl-2-(2-methyl-2-propen-1-yl)-
| Molecular Formula | C11H12Cl2O |
|---|---|
| Molecular Weight | 230.03 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.02652 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 68608-12-8 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1Cl)Cl)O)CC(=C)C |
| InChIKey | PBLAQVIZITYDSY-UHFFFAOYSA-N |
Product Overview
4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol (CAS 68608-12-8), with molecular formula C11H12Cl2O and molecular weight 230.03 g/mol. IUPAC: 4,6-dichloro-3-methyl-2-(2-methylprop-2-enyl)phenol.
Chemical Property Profile of 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol
Property Insights of 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol
The XLogP value of 4.9 indicates that 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol 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 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol?
The CAS number of 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol is 68608-12-8.
What is the molecular formula of 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol?
The molecular formula of 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol is C11H12Cl2O.
What is the molecular weight of 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol?
The molecular weight of 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol is 230.03 g/mol.
Where can I buy 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol?
You can request a quote for 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichloro-3-methyl-2-(2-methylprop-2-en-1-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.