2-Phenylcyclohexanone
TL;DR: 2-Phenylcyclohexanone (CAS 1444-65-1) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylcyclohexan-1-one
Also Known As: 2-Phenylcyclohexanone, 2-phenylcyclohexan-1-one, Cyclohexanone, 2-phenyl-, 2-phenylcyclohexanon, phenylcyclohexanone
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 1444-65-1 |
|---|---|
| SMILES | C1CCC(=O)C(C1)C2=CC=CC=C2 |
| InChIKey | DRLVMOAWNVOSPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylcyclohexanone (CAS 1444-65-1), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 2-phenylcyclohexan-1-one.
Chemical Property Profile of 2-Phenylcyclohexanone
Property Insights of 2-Phenylcyclohexanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Phenylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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-Phenylcyclohexanone?
The CAS number of 2-Phenylcyclohexanone is 1444-65-1.
What is the molecular formula of 2-Phenylcyclohexanone?
The molecular formula of 2-Phenylcyclohexanone is C12H14O.
What is the molecular weight of 2-Phenylcyclohexanone?
The molecular weight of 2-Phenylcyclohexanone is 174.10 g/mol.
Where can I buy 2-Phenylcyclohexanone?
You can request a quote for 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-Phenylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.