3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone
TL;DR: 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone (CAS 40992-04-9) is a chemical compound with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one
Also Known As: 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone, 3-chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one, 1-Propanone, 3-chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-, 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone #, RefChem:278052
| Molecular Formula | C11H13ClO3 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.05533 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 40992-04-9 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)OC)O)C(=O)CCCl |
| InChIKey | GCKPTYDLHGACHC-UHFFFAOYSA-N |
Product Overview
3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone (CAS 40992-04-9), with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol. IUPAC: 3-chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one.
Chemical Property Profile of 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone
Property Insights of 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone has 1 hydrogen bond donor(s) and 3 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-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone?
The CAS number of 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone is 40992-04-9.
What is the molecular formula of 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone?
The molecular formula of 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone is C11H13ClO3.
What is the molecular weight of 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone?
The molecular weight of 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone is 228.06 g/mol.
Where can I buy 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone?
You can request a quote for 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-(2-hydroxy-3-methoxy-6-methylphenyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.