2-(3-Chloroprop-2-enyl)phenol
TL;DR: 2-(3-Chloroprop-2-enyl)phenol (CAS 86694-60-2) 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.
2-(3-chloroprop-2-enyl)phenol
Also Known As: 2-(3-Chloro-2-propenyl)phenol
| Molecular Formula | C9H9ClO |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | 3.0 |
| 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 | 134.0 |
Chemical Identifiers
| CAS Number | 86694-60-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC=CCl)O |
| InChIKey | OHABNEWOPPLQFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Chloroprop-2-enyl)phenol (CAS 86694-60-2), with molecular formula C9H9ClO and molecular weight 168.03 g/mol. IUPAC: 2-(3-chloroprop-2-enyl)phenol.
Chemical Property Profile of 2-(3-Chloroprop-2-enyl)phenol
Property Insights of 2-(3-Chloroprop-2-enyl)phenol
The XLogP value of 3.0 indicates that 2-(3-Chloroprop-2-enyl)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, 2-(3-Chloroprop-2-enyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chloroprop-2-enyl)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 2-(3-Chloroprop-2-enyl)phenol?
The CAS number of 2-(3-Chloroprop-2-enyl)phenol is 86694-60-2.
What is the molecular formula of 2-(3-Chloroprop-2-enyl)phenol?
The molecular formula of 2-(3-Chloroprop-2-enyl)phenol is C9H9ClO.
What is the molecular weight of 2-(3-Chloroprop-2-enyl)phenol?
The molecular weight of 2-(3-Chloroprop-2-enyl)phenol is 168.03 g/mol.
Where can I buy 2-(3-Chloroprop-2-enyl)phenol?
You can request a quote for 2-(3-Chloroprop-2-enyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chloroprop-2-enyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloroprop-2-enyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.