4-Chloro-2-methyl-5-(1-methylethyl)phenol
TL;DR: 4-Chloro-2-methyl-5-(1-methylethyl)phenol (CAS 5665-94-1) is a chemical compound with molecular formula C10H13ClO and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methyl-5-propan-2-ylphenol
Also Known As: Chlorcarvacrol, Carvasept, 5-Chlorocarvacrol, Monochloroisothymol, MCIT
| Molecular Formula | C10H13ClO |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.06549 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 5665-94-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1O)C(C)C)Cl |
| InChIKey | AFFXNOIULZQAML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-methyl-5-(1-methylethyl)phenol (CAS 5665-94-1), with molecular formula C10H13ClO and molecular weight 184.07 g/mol. IUPAC: 4-chloro-2-methyl-5-propan-2-ylphenol.
Chemical Property Profile of 4-Chloro-2-methyl-5-(1-methylethyl)phenol
Property Insights of 4-Chloro-2-methyl-5-(1-methylethyl)phenol
The XLogP value of 3.9 indicates that 4-Chloro-2-methyl-5-(1-methylethyl)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-Chloro-2-methyl-5-(1-methylethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-methyl-5-(1-methylethyl)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-Chloro-2-methyl-5-(1-methylethyl)phenol?
The CAS number of 4-Chloro-2-methyl-5-(1-methylethyl)phenol is 5665-94-1.
What is the molecular formula of 4-Chloro-2-methyl-5-(1-methylethyl)phenol?
The molecular formula of 4-Chloro-2-methyl-5-(1-methylethyl)phenol is C10H13ClO.
What is the molecular weight of 4-Chloro-2-methyl-5-(1-methylethyl)phenol?
The molecular weight of 4-Chloro-2-methyl-5-(1-methylethyl)phenol is 184.07 g/mol.
Where can I buy 4-Chloro-2-methyl-5-(1-methylethyl)phenol?
You can request a quote for 4-Chloro-2-methyl-5-(1-methylethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-methyl-5-(1-methylethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methyl-5-(1-methylethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.