4-(2-Hydroxyphenyl)butan-2-one
TL;DR: 4-(2-Hydroxyphenyl)butan-2-one (CAS 66796-48-3) 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.
4-(2-hydroxyphenyl)butan-2-one
Also Known As: 4-(2-hydroxyphenyl)butan-2-one, 4-(2-Hydroxyphenyl)-2-butanone, 2-Butanone, 4-(2-hydroxyphenyl)-, J2.367.295B, RefChem:287250
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 1.6 |
| 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 | 66796-48-3 |
|---|---|
| SMILES | CC(=O)CCC1=CC=CC=C1O |
| InChIKey | YXXJNKRNPOLIKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Hydroxyphenyl)butan-2-one (CAS 66796-48-3), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 4-(2-hydroxyphenyl)butan-2-one.
Chemical Property Profile of 4-(2-Hydroxyphenyl)butan-2-one
Property Insights of 4-(2-Hydroxyphenyl)butan-2-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Hydroxyphenyl)butan-2-one. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(2-Hydroxyphenyl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Hydroxyphenyl)butan-2-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 4-(2-Hydroxyphenyl)butan-2-one?
The CAS number of 4-(2-Hydroxyphenyl)butan-2-one is 66796-48-3.
What is the molecular formula of 4-(2-Hydroxyphenyl)butan-2-one?
The molecular formula of 4-(2-Hydroxyphenyl)butan-2-one is C10H12O2.
What is the molecular weight of 4-(2-Hydroxyphenyl)butan-2-one?
The molecular weight of 4-(2-Hydroxyphenyl)butan-2-one is 164.08 g/mol.
Where can I buy 4-(2-Hydroxyphenyl)butan-2-one?
You can request a quote for 4-(2-Hydroxyphenyl)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Hydroxyphenyl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Hydroxyphenyl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.