1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one
TL;DR: 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one (CAS 54549-72-3) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
Also Known As: 1-(4-(2-hydroxypropan-2-yl)phenyl)ethanone, 1-[4-(2-hydroxypropan-2-yl)phenyl]ethan-1-one, 1-(4-(2-hydroxypropan-2-yl)phenyl) ethanone, Fenofibrate Impurity 31, 1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 54549-72-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)C(C)(C)O |
| InChIKey | KWWWFTBWCKTBQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one (CAS 54549-72-3), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone.
Chemical Property Profile of 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one
Property Insights of 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-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 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one?
The CAS number of 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one is 54549-72-3.
What is the molecular formula of 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one?
The molecular formula of 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one is C11H14O2.
What is the molecular weight of 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one?
The molecular weight of 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one is 178.10 g/mol.
Where can I buy 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one?
You can request a quote for 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.