3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one
TL;DR: 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one (CAS 69629-62-5) 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.
2-(1-hydroxy-2-phenylethylidene)-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-(1-hydroxy-2-phenylethylidene)-5,5-dimethylcyclohexane-1,3-dione, 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one, 2-(alpha-Hydroxyphenethylidene)-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C16H18O3 |
|---|---|
| Molecular Weight | 258.13 g/mol |
| LogP | 2.9994 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.12558 |
| Heavy Atoms | 19 |
| Complexity | 516.3723 |
Chemical Identifiers
| CAS Number | 69629-62-5 |
|---|---|
| SMILES | CC1(CC(=O)C(=C(CC2=CC=CC=C2)O)C(=O)C1)C |
Product Overview
3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one (CAS 69629-62-5), with molecular formula C16H18O3 and molecular weight 258.13 g/mol. IUPAC: 2-(1-hydroxy-2-phenylethylidene)-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one
Property Insights of 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one
The XLogP value of 2.9994 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-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-phenylacetyl)-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-phenylacetyl)-2-cyclohexen-1-one?
The CAS number of 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one is 69629-62-5.
What is the molecular formula of 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one?
The molecular formula of 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one is C16H18O3.
What is the molecular weight of 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one?
The molecular weight of 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one is 258.13 g/mol.
Where can I buy 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one?
You can request a quote for 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-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-phenylacetyl)-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-5,5-dimethyl-2-(2-phenylacetyl)-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.