3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one
TL;DR: 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one (CAS 51940-65-9) is a chemical compound with molecular formula C16H18O3 and molecular weight 258.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-5,5-dimethyl-2-phenacylcyclohex-2-en-1-one
Also Known As: UPCMLD0ENAT5971263:001, 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one, 3-hydroxy-5,5-dimethyl-2-phenacylcyclohex-2-en-1-one, 3-hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)cyclohex-2-en-1-one, RefChem:279884
| Molecular Formula | C16H18O3 |
|---|---|
| Molecular Weight | 258.13 g/mol |
| LogP | 3.4606 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.12558 |
| Heavy Atoms | 19 |
| Complexity | 538.3723 |
Chemical Identifiers
| CAS Number | 51940-65-9 |
|---|---|
| SMILES | CC1(CC(=C(C(=O)C1)CC(=O)C2=CC=CC=C2)O)C |
Product Overview
3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one (CAS 51940-65-9), with molecular formula C16H18O3 and molecular weight 258.13 g/mol. IUPAC: 3-hydroxy-5,5-dimethyl-2-phenacylcyclohex-2-en-1-one.
Chemical Property Profile of 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one
Property Insights of 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one
The XLogP value of 3.4606 indicates that 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one has 1 hydrogen bond donor(s) and 3 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-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one?
The CAS number of 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one is 51940-65-9.
What is the molecular formula of 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one?
The molecular formula of 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one is C16H18O3.
What is the molecular weight of 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one?
The molecular weight of 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one is 258.13 g/mol.
Where can I buy 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one?
You can request a quote for 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-5,5-dimethyl-2-(2-oxo-2-phenylethyl)-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.