1-Chloro-3-phenoxy-2-propanol
TL;DR: 1-Chloro-3-phenoxy-2-propanol (CAS 4769-73-7) is a chemical compound with molecular formula C9H11ClO2 and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-phenoxypropan-2-ol
Also Known As: 1-Chloro-3-phenoxypropan-2-ol, 1-Chloro-3-phenoxy-2-propanol, 1-Chloro-2-hydroxy-3-phenoxypropane, 2-Propanol, 1-chloro-3-phenoxy-, 1-Chloro-3-phenoxy-propan-2-ol
| Molecular Formula | C9H11ClO2 |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.04475 |
| Heavy Atoms | 12 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 4769-73-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(CCl)O |
| InChIKey | HCTDRZMGZRHFJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3-phenoxy-2-propanol (CAS 4769-73-7), with molecular formula C9H11ClO2 and molecular weight 186.04 g/mol. IUPAC: 1-chloro-3-phenoxypropan-2-ol.
Chemical Property Profile of 1-Chloro-3-phenoxy-2-propanol
Property Insights of 1-Chloro-3-phenoxy-2-propanol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-phenoxy-2-propanol. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Chloro-3-phenoxy-2-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-phenoxy-2-propanol has 1 hydrogen bond donor(s) and 2 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 1-Chloro-3-phenoxy-2-propanol?
The CAS number of 1-Chloro-3-phenoxy-2-propanol is 4769-73-7.
What is the molecular formula of 1-Chloro-3-phenoxy-2-propanol?
The molecular formula of 1-Chloro-3-phenoxy-2-propanol is C9H11ClO2.
What is the molecular weight of 1-Chloro-3-phenoxy-2-propanol?
The molecular weight of 1-Chloro-3-phenoxy-2-propanol is 186.04 g/mol.
Where can I buy 1-Chloro-3-phenoxy-2-propanol?
You can request a quote for 1-Chloro-3-phenoxy-2-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-phenoxy-2-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-phenoxy-2-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.