2-Allyl-4-chlorophenol
TL;DR: 2-Allyl-4-chlorophenol (CAS 13997-73-4) is a chemical compound with molecular formula C9H9ClO and molecular weight 168.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-prop-2-enylphenol
Also Known As: 2-Allyl-4-chlorophenol, 2-allyl-4-chloro-phenol, 4-Chloro-2-allylphenol, 4-chloro-2-prop-2-enylphenol, 4-chloro-2-(prop-2-en-1-yl)phenol
| Molecular Formula | C9H9ClO |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0342 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 13997-73-4 |
|---|---|
| SMILES | C=CCC1=C(C=CC(=C1)Cl)O |
| InChIKey | NQZKLVHWFYHXGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Allyl-4-chlorophenol (CAS 13997-73-4), with molecular formula C9H9ClO and molecular weight 168.03 g/mol. IUPAC: 4-chloro-2-prop-2-enylphenol.
Chemical Property Profile of 2-Allyl-4-chlorophenol
Property Insights of 2-Allyl-4-chlorophenol
The XLogP value of 3.5 indicates that 2-Allyl-4-chlorophenol 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-Allyl-4-chlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Allyl-4-chlorophenol 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-Allyl-4-chlorophenol?
The CAS number of 2-Allyl-4-chlorophenol is 13997-73-4.
What is the molecular formula of 2-Allyl-4-chlorophenol?
The molecular formula of 2-Allyl-4-chlorophenol is C9H9ClO.
What is the molecular weight of 2-Allyl-4-chlorophenol?
The molecular weight of 2-Allyl-4-chlorophenol is 168.03 g/mol.
Where can I buy 2-Allyl-4-chlorophenol?
You can request a quote for 2-Allyl-4-chlorophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Allyl-4-chlorophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Allyl-4-chlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.