2-(Acetoacetyl)phenol
TL;DR: 2-(Acetoacetyl)phenol (CAS 16636-62-7) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyphenyl)butane-1,3-dione
Also Known As: 2-(Acetoacetyl)phenol, o-Hydroxybenzoylacetone, 1-(2-hydroxyphenyl)butane-1,3-dione, o-Acetoacetylphenol, Salicyloylacetone
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 16636-62-7 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=CC=CC=C1O |
| InChIKey | FAIACLOKYTYHSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Acetoacetyl)phenol (CAS 16636-62-7), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: 1-(2-hydroxyphenyl)butane-1,3-dione.
Chemical Property Profile of 2-(Acetoacetyl)phenol
Property Insights of 2-(Acetoacetyl)phenol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetoacetyl)phenol. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(Acetoacetyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Acetoacetyl)phenol 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 2-(Acetoacetyl)phenol?
The CAS number of 2-(Acetoacetyl)phenol is 16636-62-7.
What is the molecular formula of 2-(Acetoacetyl)phenol?
The molecular formula of 2-(Acetoacetyl)phenol is C10H10O3.
What is the molecular weight of 2-(Acetoacetyl)phenol?
The molecular weight of 2-(Acetoacetyl)phenol is 178.06 g/mol.
Where can I buy 2-(Acetoacetyl)phenol?
You can request a quote for 2-(Acetoacetyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetoacetyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetoacetyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.