Benzenepropanol, alpha-ethenyl-alpha-methyl-
TL;DR: Benzenepropanol, alpha-ethenyl-alpha-methyl- (CAS 55066-45-0) 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.
3-methyl-5-phenylpent-1-en-3-ol
Also Known As: 3-Methyl-5-phenylpent-1-en-3-ol, 3-Methyl-5-phenyl-1-penten-3-ol, 3-methyl-5-phenyl-pent-1-en-3-ol, Benzenepropanol, a-ethenyl-a-methyl-, Benzenepropanol, alpha-ethenyl-alpha-methyl-
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 55066-45-0 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)(C=C)O |
| InChIKey | UWRYPWSHHZVMHR-UHFFFAOYSA-N |
Product Overview
Benzenepropanol, alpha-ethenyl-alpha-methyl- (CAS 55066-45-0), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 3-methyl-5-phenylpent-1-en-3-ol.
Chemical Property Profile of Benzenepropanol, alpha-ethenyl-alpha-methyl-
Property Insights of Benzenepropanol, alpha-ethenyl-alpha-methyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanol, alpha-ethenyl-alpha-methyl-. With a topological polar surface area (TPSA) of 20.2 Ų, Benzenepropanol, alpha-ethenyl-alpha-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanol, alpha-ethenyl-alpha-methyl- 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 Benzenepropanol, alpha-ethenyl-alpha-methyl-?
The CAS number of Benzenepropanol, alpha-ethenyl-alpha-methyl- is 55066-45-0.
What is the molecular formula of Benzenepropanol, alpha-ethenyl-alpha-methyl-?
The molecular formula of Benzenepropanol, alpha-ethenyl-alpha-methyl- is C12H16O.
What is the molecular weight of Benzenepropanol, alpha-ethenyl-alpha-methyl-?
The molecular weight of Benzenepropanol, alpha-ethenyl-alpha-methyl- is 176.12 g/mol.
Where can I buy Benzenepropanol, alpha-ethenyl-alpha-methyl-?
You can request a quote for Benzenepropanol, alpha-ethenyl-alpha-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanol, alpha-ethenyl-alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanol, alpha-ethenyl-alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.