3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl-
TL;DR: 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl- (CAS 113949-26-1) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-(2,5-dimethoxyphenyl)-2-methylbut-3-en-2-ol
Also Known As: 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl-, (E)-4-(2,5-dimethoxyphenyl)-2-methylbut-3-en-2-ol, (E)-4-(2,5-dimethoxyphenyl)-2-methyl-but-3-en-2-ol
Technical Specifications
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.1256 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.1256 Da |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
| SMILES | CC(C)(/C=C/C1=C(C=CC(=C1)OC)OC)O |
| InChIKey | PUJHCKKUPWVCBP-BQYQJAHWSA-N |
Chemical Property Profile of 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl-
Property Insights of 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl-. With a topological polar surface area (TPSA) of 38.7 Ų, 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl- 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
What is the CAS number of 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl-?
The CAS number of 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl- is 113949-26-1.
What is the molecular formula of 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl-?
The molecular formula of 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl- is C13H18O3.
What is the molecular weight of 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl-?
The molecular weight of 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl- is 222.1256 g/mol.
Where can I buy 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl-?
You can request a quote for 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl-?
Yes, CoreyChem provides custom synthesis services for 3-Buten-2-ol, 4-(2,5-dimethoxyphenyl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.