beta-Methyl-beta-propylphenethyl alcohol
TL;DR: beta-Methyl-beta-propylphenethyl alcohol (CAS 85099-33-8) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-phenylpentan-1-ol
Also Known As: 2-methyl-2-phenylpentan-1-ol, EINECS 285-489-0, beta-Methyl-beta-propylphenethyl alcohol, 2-methyl-2-phenyl-pentan-1-ol, beta-Methyl-beta-propylbenzeneethanol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 2.7367 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 242.5612 |
Chemical Identifiers
| CAS Number | 85099-33-8 |
|---|---|
| SMILES | CCCC(C)(CO)C1=CC=CC=C1 |
Product Overview
beta-Methyl-beta-propylphenethyl alcohol (CAS 85099-33-8), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 2-methyl-2-phenylpentan-1-ol.
Chemical Property Profile of beta-Methyl-beta-propylphenethyl alcohol
Property Insights of beta-Methyl-beta-propylphenethyl alcohol
The XLogP value of 2.7367 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Methyl-beta-propylphenethyl alcohol. With a topological polar surface area (TPSA) of 20.23 Ų, beta-Methyl-beta-propylphenethyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Methyl-beta-propylphenethyl alcohol 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 beta-Methyl-beta-propylphenethyl alcohol?
The CAS number of beta-Methyl-beta-propylphenethyl alcohol is 85099-33-8.
What is the molecular formula of beta-Methyl-beta-propylphenethyl alcohol?
The molecular formula of beta-Methyl-beta-propylphenethyl alcohol is C12H18O.
What is the molecular weight of beta-Methyl-beta-propylphenethyl alcohol?
The molecular weight of beta-Methyl-beta-propylphenethyl alcohol is 178.14 g/mol.
Where can I buy beta-Methyl-beta-propylphenethyl alcohol?
You can request a quote for beta-Methyl-beta-propylphenethyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Methyl-beta-propylphenethyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for beta-Methyl-beta-propylphenethyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.