α-(1-甲基乙基)苯乙醇
TL;DR: α-(1-甲基乙基)苯乙醇 (CAS 705-58-8) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-(1-甲基乙基)苯乙醇
3-methyl-1-phenylbutan-2-ol
Also Known As: 3-Methyl-1-phenylbutan-2-ol, methyl phenyl butanol, 1-Phenyl-3-methyl-2-butanol, i-propyl benzyl carbinol, alpha-Isopropyl-phenethyl alcohol
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 705-58-8 |
|---|---|
| SMILES | CC(C)C(CC1=CC=CC=C1)O |
| InChIKey | AFLKKLSCQQGOEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-(1-甲基乙基)苯乙醇 (CAS 705-58-8), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 3-methyl-1-phenylbutan-2-ol.
Chemical Property Profile of α-(1-甲基乙基)苯乙醇
Property Insights of α-(1-甲基乙基)苯乙醇
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-(1-甲基乙基)苯乙醇. With a topological polar surface area (TPSA) of 20.2 Ų, α-(1-甲基乙基)苯乙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-(1-甲基乙基)苯乙醇 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 α-(1-甲基乙基)苯乙醇?
The CAS number of α-(1-甲基乙基)苯乙醇 is 705-58-8.
What is the molecular formula of α-(1-甲基乙基)苯乙醇?
The molecular formula of α-(1-甲基乙基)苯乙醇 is C11H16O.
What is the molecular weight of α-(1-甲基乙基)苯乙醇?
The molecular weight of α-(1-甲基乙基)苯乙醇 is 164.12 g/mol.
Where can I buy α-(1-甲基乙基)苯乙醇?
You can request a quote for α-(1-甲基乙基)苯乙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-(1-甲基乙基)苯乙醇?
Yes, KEHONG BIO provides custom synthesis services for α-(1-甲基乙基)苯乙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.