3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one
TL;DR: 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one (CAS 42244-86-0) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one
Also Known As: 3-chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one, 2-(3-Chloropropanoyl)-6-methylphenol, AO-800/41069760, 3-CHLORO-1-(2-HYDROXY-3-METHYL-PHENYL)-PROPAN-1-ONE
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.51222 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 320.70084 |
Chemical Identifiers
| CAS Number | 42244-86-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)CCCl)O |
Product Overview
3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one (CAS 42244-86-0), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 3-chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one.
Chemical Property Profile of 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one
Property Insights of 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one
The XLogP value of 2.51222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one 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-1-(2-hydroxy-3-methylphenyl)propan-1-one?
The CAS number of 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one is 42244-86-0.
What is the molecular formula of 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one?
The molecular formula of 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one is C10H11ClO2.
What is the molecular weight of 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one?
The molecular weight of 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one is 198.04 g/mol.
Where can I buy 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one?
You can request a quote for 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one 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-methylphenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-(2-hydroxy-3-methylphenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.