2'-Hydroxybutyrophenone
TL;DR: 2'-Hydroxybutyrophenone (CAS 2887-61-8) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyphenyl)butan-1-one
Also Known As: 2'-Hydroxybutyrophenone, Fenjuntong, 1-(2-hydroxyphenyl)butan-1-one, 2-Butyrylphenol, 1-Butanone, 1-(2-hydroxyphenyl)-
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 2887-61-8 |
|---|---|
| SMILES | CCCC(=O)C1=CC=CC=C1O |
| InChIKey | GUDQIKIAWOAOFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Hydroxybutyrophenone (CAS 2887-61-8), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 1-(2-hydroxyphenyl)butan-1-one.
Chemical Property Profile of 2'-Hydroxybutyrophenone
Property Insights of 2'-Hydroxybutyrophenone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Hydroxybutyrophenone. With a topological polar surface area (TPSA) of 37.3 Ų, 2'-Hydroxybutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Hydroxybutyrophenone 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 2'-Hydroxybutyrophenone?
The CAS number of 2'-Hydroxybutyrophenone is 2887-61-8.
What is the molecular formula of 2'-Hydroxybutyrophenone?
The molecular formula of 2'-Hydroxybutyrophenone is C10H12O2.
What is the molecular weight of 2'-Hydroxybutyrophenone?
The molecular weight of 2'-Hydroxybutyrophenone is 164.08 g/mol.
Where can I buy 2'-Hydroxybutyrophenone?
You can request a quote for 2'-Hydroxybutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Hydroxybutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 2'-Hydroxybutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.