2-Methyl-2-phenylcyclohexanone
TL;DR: 2-Methyl-2-phenylcyclohexanone (CAS 17206-54-1) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-phenylcyclohexan-1-one
Also Known As: 2-Methyl-2-phenylcyclohexanone, 2-methyl-2-phenylcyclohexan-1-one, 2-METHYL-2-PHENYL-CYCLOHEXANONE, 2-Methyl-2-phenylcyclohexanon, 2-Phenyl-2-methylcyclohexanone
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 17206-54-1 |
|---|---|
| SMILES | CC1(CCCCC1=O)C2=CC=CC=C2 |
| InChIKey | NKJLGNHULJVJGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-2-phenylcyclohexanone (CAS 17206-54-1), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 2-methyl-2-phenylcyclohexan-1-one.
Chemical Property Profile of 2-Methyl-2-phenylcyclohexanone
Property Insights of 2-Methyl-2-phenylcyclohexanone
The XLogP value of 3.0 indicates that 2-Methyl-2-phenylcyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methyl-2-phenylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-phenylcyclohexanone 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 2-Methyl-2-phenylcyclohexanone?
The CAS number of 2-Methyl-2-phenylcyclohexanone is 17206-54-1.
What is the molecular formula of 2-Methyl-2-phenylcyclohexanone?
The molecular formula of 2-Methyl-2-phenylcyclohexanone is C13H16O.
What is the molecular weight of 2-Methyl-2-phenylcyclohexanone?
The molecular weight of 2-Methyl-2-phenylcyclohexanone is 188.12 g/mol.
Where can I buy 2-Methyl-2-phenylcyclohexanone?
You can request a quote for 2-Methyl-2-phenylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-phenylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-phenylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.