1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one
TL;DR: 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one (CAS 40815-79-0) 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.
1-(3,6-dihydroxy-2-prop-2-enylphenyl)ethanone
Also Known As: 1-(2-allyl-3,6-dihydroxyphenyl)ethan-1-one, 1- ETHAN-1-ONE, 1-(3,6-dihydroxy-2-prop-2-enylphenyl)ethanone, 2-acetyl-3-allyl-1,4-benzenediol, 2-Acetyl-3-allylbenzene-1,4-diol
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.0289 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 380.3642 |
Chemical Identifiers
| CAS Number | 40815-79-0 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1CC=C)O)O |
Product Overview
1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one (CAS 40815-79-0), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 1-(3,6-dihydroxy-2-prop-2-enylphenyl)ethanone.
Chemical Property Profile of 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one
Property Insights of 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one
The XLogP value of 2.0289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one. With a topological polar surface area (TPSA) of 57.53 Ų, 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one has 2 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 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one?
The CAS number of 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one is 40815-79-0.
What is the molecular formula of 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one?
The molecular formula of 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one is C11H12O3.
What is the molecular weight of 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one?
The molecular weight of 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one is 192.08 g/mol.
Where can I buy 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one?
You can request a quote for 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Allyl-3,6-dihydroxyphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.