3-Hydroxy-3-phenylcyclohexanone
TL;DR: 3-Hydroxy-3-phenylcyclohexanone (CAS 25444-79-5) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3-phenylcyclohexan-1-one
Also Known As: 3-Hydroxy-3-phenylcyclohexanone, Cyclohexanone, 3-hydroxy-3-phenyl-, 3-hydroxy-3-phenylcyclohexan-1-one, QRGQOEHXZJGPPC-UHFFFAOYSA-, InChI=1/C12H14O2/c13-11-7-4-8-12(14,9-11)10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 25444-79-5 |
|---|---|
| SMILES | C1CC(=O)CC(C1)(C2=CC=CC=C2)O |
| InChIKey | QRGQOEHXZJGPPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-3-phenylcyclohexanone (CAS 25444-79-5), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 3-hydroxy-3-phenylcyclohexan-1-one.
Chemical Property Profile of 3-Hydroxy-3-phenylcyclohexanone
Property Insights of 3-Hydroxy-3-phenylcyclohexanone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-3-phenylcyclohexanone. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-3-phenylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-3-phenylcyclohexanone 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 3-Hydroxy-3-phenylcyclohexanone?
The CAS number of 3-Hydroxy-3-phenylcyclohexanone is 25444-79-5.
What is the molecular formula of 3-Hydroxy-3-phenylcyclohexanone?
The molecular formula of 3-Hydroxy-3-phenylcyclohexanone is C12H14O2.
What is the molecular weight of 3-Hydroxy-3-phenylcyclohexanone?
The molecular weight of 3-Hydroxy-3-phenylcyclohexanone is 190.10 g/mol.
Where can I buy 3-Hydroxy-3-phenylcyclohexanone?
You can request a quote for 3-Hydroxy-3-phenylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-3-phenylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-3-phenylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.