2-(But-3-en-2-yl)-3,5-dimethylphenol
TL;DR: 2-(But-3-en-2-yl)-3,5-dimethylphenol (CAS 3698-51-9) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-but-3-en-2-yl-3,5-dimethylphenol
Also Known As: 2-(but-3-en-2-yl)-3,5-dimethylphenol, 2-but-3-en-2-yl-3,5-dimethylphenol, Phenol,3,5-dimethyl-2-(1-methyl-2-propen-1-yl)-
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 3698-51-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)O)C(C)C=C)C |
| InChIKey | YETQHQAASMKVTM-UHFFFAOYSA-N |
Product Overview
2-(But-3-en-2-yl)-3,5-dimethylphenol (CAS 3698-51-9), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 2-but-3-en-2-yl-3,5-dimethylphenol.
Chemical Property Profile of 2-(But-3-en-2-yl)-3,5-dimethylphenol
Property Insights of 2-(But-3-en-2-yl)-3,5-dimethylphenol
The XLogP value of 3.7 indicates that 2-(But-3-en-2-yl)-3,5-dimethylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-(But-3-en-2-yl)-3,5-dimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(But-3-en-2-yl)-3,5-dimethylphenol has 1 hydrogen bond donor(s) and 1 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 2-(But-3-en-2-yl)-3,5-dimethylphenol?
The CAS number of 2-(But-3-en-2-yl)-3,5-dimethylphenol is 3698-51-9.
What is the molecular formula of 2-(But-3-en-2-yl)-3,5-dimethylphenol?
The molecular formula of 2-(But-3-en-2-yl)-3,5-dimethylphenol is C12H16O.
What is the molecular weight of 2-(But-3-en-2-yl)-3,5-dimethylphenol?
The molecular weight of 2-(But-3-en-2-yl)-3,5-dimethylphenol is 176.12 g/mol.
Where can I buy 2-(But-3-en-2-yl)-3,5-dimethylphenol?
You can request a quote for 2-(But-3-en-2-yl)-3,5-dimethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(But-3-en-2-yl)-3,5-dimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(But-3-en-2-yl)-3,5-dimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.