3-羟基苯乙酮
TL;DR: 3-羟基苯乙酮 (CAS 121-71-1) is a chemical compound with molecular formula C8H8O2 and molecular weight 136.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-羟基苯乙酮
1-(3-hydroxyphenyl)ethanone
Also Known As: 3'-Hydroxyacetophenone, 3-Hydroxyacetophenone, 1-(3-Hydroxyphenyl)ethanone, m-Hydroxyacetophenone, m-Acetylphenol
| Molecular Formula | C8H8O2 |
|---|---|
| Molecular Weight | 136.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.05243 |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
| Vapor Pressure | 0.00748 [mmHg] |
Chemical Identifiers
| CAS Number | 121-71-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)O |
| InChIKey | LUJMEECXHPYQOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-羟基苯乙酮 (CAS 121-71-1), with molecular formula C8H8O2 and molecular weight 136.05 g/mol. IUPAC: 1-(3-hydroxyphenyl)ethanone.
Chemical Property Profile of 3-羟基苯乙酮
Property Insights of 3-羟基苯乙酮
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-羟基苯乙酮. With a topological polar surface area (TPSA) of 37.3 Ų, 3-羟基苯乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-羟基苯乙酮 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-羟基苯乙酮?
The CAS number of 3-羟基苯乙酮 is 121-71-1.
What is the molecular formula of 3-羟基苯乙酮?
The molecular formula of 3-羟基苯乙酮 is C8H8O2.
What is the molecular weight of 3-羟基苯乙酮?
The molecular weight of 3-羟基苯乙酮 is 136.05 g/mol.
Where can I buy 3-羟基苯乙酮?
You can request a quote for 3-羟基苯乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-羟基苯乙酮?
Yes, KEHONG BIO provides custom synthesis services for 3-羟基苯乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.