3-Methyl-1-phenylbut-2-en-1-ol
TL;DR: 3-Methyl-1-phenylbut-2-en-1-ol (CAS 95465-44-4) 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.
3-methyl-1-phenylbut-2-en-1-ol
Also Known As: 3-methyl-1-phenylbut-2-en-1-ol, 3-methyl-1-phenyl-2-buten-1-ol, 1-Phenyl-3-methyl-2-butene-1-ol, .alpha.-(2-Methyl-1-propenyl)benzenemethanol, J1.107.299B
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.6862 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 257.5924 |
Chemical Identifiers
| CAS Number | 95465-44-4 |
|---|---|
| SMILES | CC(=CC(C1=CC=CC=C1)O)C |
Product Overview
3-Methyl-1-phenylbut-2-en-1-ol (CAS 95465-44-4), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 3-methyl-1-phenylbut-2-en-1-ol.
Chemical Property Profile of 3-Methyl-1-phenylbut-2-en-1-ol
Property Insights of 3-Methyl-1-phenylbut-2-en-1-ol
The XLogP value of 2.6862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-phenylbut-2-en-1-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 3-Methyl-1-phenylbut-2-en-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-phenylbut-2-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 3-Methyl-1-phenylbut-2-en-1-ol?
The CAS number of 3-Methyl-1-phenylbut-2-en-1-ol is 95465-44-4.
What is the molecular formula of 3-Methyl-1-phenylbut-2-en-1-ol?
The molecular formula of 3-Methyl-1-phenylbut-2-en-1-ol is C11H14O.
What is the molecular weight of 3-Methyl-1-phenylbut-2-en-1-ol?
The molecular weight of 3-Methyl-1-phenylbut-2-en-1-ol is 162.10 g/mol.
Where can I buy 3-Methyl-1-phenylbut-2-en-1-ol?
You can request a quote for 3-Methyl-1-phenylbut-2-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 3-Methyl-1-phenylbut-2-en-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-phenylbut-2-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.