3-tert-Butyl-5-methylbenzyl alcohol
TL;DR: 3-tert-Butyl-5-methylbenzyl alcohol (CAS 85204-28-0) 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.
(3-tert-butyl-5-methylphenyl)methanol
Also Known As: 3-tert-Butyl-5-methylbenzyl alcohol, EINECS 286-324-5, (3-tert-butyl-5-methylphenyl)methanol, 3-tert-butyl-5-methylbenzylalcohol, 3-tert-Butyl-5-methylbenzenemethanol
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 2.78482 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 294.48306 |
Chemical Identifiers
| CAS Number | 85204-28-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(C)(C)C)CO |
Product Overview
3-tert-Butyl-5-methylbenzyl alcohol (CAS 85204-28-0), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: (3-tert-butyl-5-methylphenyl)methanol.
Chemical Property Profile of 3-tert-Butyl-5-methylbenzyl alcohol
Property Insights of 3-tert-Butyl-5-methylbenzyl alcohol
The XLogP value of 2.78482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-tert-Butyl-5-methylbenzyl alcohol. With a topological polar surface area (TPSA) of 20.23 Ų, 3-tert-Butyl-5-methylbenzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butyl-5-methylbenzyl 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 3-tert-Butyl-5-methylbenzyl alcohol?
The CAS number of 3-tert-Butyl-5-methylbenzyl alcohol is 85204-28-0.
What is the molecular formula of 3-tert-Butyl-5-methylbenzyl alcohol?
The molecular formula of 3-tert-Butyl-5-methylbenzyl alcohol is C12H18O.
What is the molecular weight of 3-tert-Butyl-5-methylbenzyl alcohol?
The molecular weight of 3-tert-Butyl-5-methylbenzyl alcohol is 178.14 g/mol.
Where can I buy 3-tert-Butyl-5-methylbenzyl alcohol?
You can request a quote for 3-tert-Butyl-5-methylbenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-tert-Butyl-5-methylbenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 3-tert-Butyl-5-methylbenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.