3-Chloro-6-hydroxyacetophenone
TL;DR: 3-Chloro-6-hydroxyacetophenone (CAS 1450-74-4) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-2-hydroxyphenyl)ethanone
Also Known As: 5'-Chloro-2'-hydroxyacetophenone, 1-(5-Chloro-2-hydroxyphenyl)ethanone, 2-Acetyl-4-chlorophenol, 5-Chloro-2-hydroxyacetophenone, 1-(5-Chloro-2-hydroxyphenyl)ethan-1-one
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.01346 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 1450-74-4 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)Cl)O |
| InChIKey | XTGCUDZCCIRWHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-6-hydroxyacetophenone (CAS 1450-74-4), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: 1-(5-chloro-2-hydroxyphenyl)ethanone.
Chemical Property Profile of 3-Chloro-6-hydroxyacetophenone
Property Insights of 3-Chloro-6-hydroxyacetophenone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-6-hydroxyacetophenone. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-6-hydroxyacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-6-hydroxyacetophenone 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 3-Chloro-6-hydroxyacetophenone?
The CAS number of 3-Chloro-6-hydroxyacetophenone is 1450-74-4.
What is the molecular formula of 3-Chloro-6-hydroxyacetophenone?
The molecular formula of 3-Chloro-6-hydroxyacetophenone is C8H7ClO2.
What is the molecular weight of 3-Chloro-6-hydroxyacetophenone?
The molecular weight of 3-Chloro-6-hydroxyacetophenone is 170.01 g/mol.
Where can I buy 3-Chloro-6-hydroxyacetophenone?
You can request a quote for 3-Chloro-6-hydroxyacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-6-hydroxyacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-6-hydroxyacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.