4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
TL;DR: 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one (CAS 1080-12-2) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
Also Known As: Dehydrozingerone, Feruloylmethane, Vanillylidene acetone, dehydrozingerol, Vanillalacetone
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
| Solubility | slightly soluble in water |
Chemical Identifiers
| CAS Number | 1080-12-2 |
|---|---|
| SMILES | CC(=O)C=CC1=CC(=C(C=C1)O)OC |
| InChIKey | AFWKBSMFXWNGRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one (CAS 1080-12-2), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one.
Chemical Property Profile of 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
Property Insights of 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-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 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one?
The CAS number of 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one is 1080-12-2.
What is the molecular formula of 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one?
The molecular formula of 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one is C11H12O3.
What is the molecular weight of 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one?
The molecular weight of 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one is 192.08 g/mol.
Where can I buy 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one?
You can request a quote for 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Hydroxy-3-methoxyphenyl)-3-buten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.