2-Methyl-1-phenylbut-3-en-1-ol
TL;DR: 2-Methyl-1-phenylbut-3-en-1-ol (CAS 122332-13-2) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-phenylbut-3-en-1-ol
Also Known As: 2-Methyl-1-phenylbut-3-en-1-ol, 2-Methyl-1-phenyl-3-buten-1-ol, 3-Buten-1-ol, 2-methyl-1-phenyl-, 1-Phenyl-2-methyl-3-buten-1-ol, alpha-(1-Methylallyl)benzenemethanol
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 122332-13-2 |
|---|---|
| SMILES | CC(C=C)C(C1=CC=CC=C1)O |
| InChIKey | DLSYQCLRLSWCDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1-phenylbut-3-en-1-ol (CAS 122332-13-2), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 2-methyl-1-phenylbut-3-en-1-ol.
Chemical Property Profile of 2-Methyl-1-phenylbut-3-en-1-ol
Property Insights of 2-Methyl-1-phenylbut-3-en-1-ol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1-phenylbut-3-en-1-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Methyl-1-phenylbut-3-en-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-phenylbut-3-en-1-ol 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-Methyl-1-phenylbut-3-en-1-ol?
The CAS number of 2-Methyl-1-phenylbut-3-en-1-ol is 122332-13-2.
What is the molecular formula of 2-Methyl-1-phenylbut-3-en-1-ol?
The molecular formula of 2-Methyl-1-phenylbut-3-en-1-ol is C11H14O.
What is the molecular weight of 2-Methyl-1-phenylbut-3-en-1-ol?
The molecular weight of 2-Methyl-1-phenylbut-3-en-1-ol is 162.10 g/mol.
Where can I buy 2-Methyl-1-phenylbut-3-en-1-ol?
You can request a quote for 2-Methyl-1-phenylbut-3-en-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-phenylbut-3-en-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-phenylbut-3-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.