3-Methyl-3-phenylbutan-2-one
TL;DR: 3-Methyl-3-phenylbutan-2-one (CAS 80606-52-6) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3-phenylbutan-2-one
Also Known As: 3-methyl-3-phenylbutan-2-one, Cubylmethylketon, cumyl methyl ketone, 2-Butanone, 3-methyl-3-phenyl-, 3-methyl-3-phenyl-2-butanone
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 80606-52-6 |
|---|---|
| SMILES | CC(=O)C(C)(C)C1=CC=CC=C1 |
| InChIKey | LWBNJLNAXDUONB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-3-phenylbutan-2-one (CAS 80606-52-6), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 3-methyl-3-phenylbutan-2-one.
Chemical Property Profile of 3-Methyl-3-phenylbutan-2-one
Property Insights of 3-Methyl-3-phenylbutan-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-phenylbutan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methyl-3-phenylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3-phenylbutan-2-one has 0 hydrogen bond donor(s) and 1 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-Methyl-3-phenylbutan-2-one?
The CAS number of 3-Methyl-3-phenylbutan-2-one is 80606-52-6.
What is the molecular formula of 3-Methyl-3-phenylbutan-2-one?
The molecular formula of 3-Methyl-3-phenylbutan-2-one is C11H14O.
What is the molecular weight of 3-Methyl-3-phenylbutan-2-one?
The molecular weight of 3-Methyl-3-phenylbutan-2-one is 162.10 g/mol.
Where can I buy 3-Methyl-3-phenylbutan-2-one?
You can request a quote for 3-Methyl-3-phenylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-3-phenylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-3-phenylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.