5-(4-Hydroxyphenyl)cyclohexane-1,3-dione
TL;DR: 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione (CAS 91963-14-3) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-hydroxyphenyl)cyclohexane-1,3-dione
Also Known As: 5-(4-hydroxyphenyl)cyclohexane-1,3-dione, 1,3-Cyclohexanedione, 5-(4-hydroxyphenyl)-, 1,3-Cyclohexanedione,5-[4-hydroxyphenyl], 5-(4-Hydroxyphenyl)-1,3-cyclohexanedione, 5-(4-hydroxyphenyl)-cyclohexane-1,3-dione
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 91963-14-3 |
|---|---|
| SMILES | C1C(CC(=O)CC1=O)C2=CC=C(C=C2)O |
| InChIKey | QONVYGBSHDIBRK-UHFFFAOYSA-N |
Product Overview
5-(4-Hydroxyphenyl)cyclohexane-1,3-dione (CAS 91963-14-3), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 5-(4-hydroxyphenyl)cyclohexane-1,3-dione.
Chemical Property Profile of 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione
Property Insights of 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione 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 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione?
The CAS number of 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione is 91963-14-3.
What is the molecular formula of 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione?
The molecular formula of 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione is C12H12O3.
What is the molecular weight of 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione?
The molecular weight of 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione is 204.08 g/mol.
Where can I buy 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione?
You can request a quote for 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Hydroxyphenyl)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.