alpha-Isobutyl-4-hydroxybenzyl alcohol
TL;DR: alpha-Isobutyl-4-hydroxybenzyl alcohol (CAS 1805-60-3) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-hydroxy-3-methylbutyl)phenol
Also Known As: 4-(1-hydroxy-3-methylbutyl)phenol, alpha-Isobutyl-4-hydroxybenzyl alcohol, alpha-Isobutyl-para-hydroxybenzyl alcohol, alpha-Iso-butyl-p-hydroxybenzyl alcohol, T 108
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 1805-60-3 |
|---|---|
| SMILES | CC(C)CC(C1=CC=C(C=C1)O)O |
| InChIKey | JTWGVWIVAIFTQG-UHFFFAOYSA-N |
Product Overview
alpha-Isobutyl-4-hydroxybenzyl alcohol (CAS 1805-60-3), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 4-(1-hydroxy-3-methylbutyl)phenol.
Chemical Property Profile of alpha-Isobutyl-4-hydroxybenzyl alcohol
Property Insights of alpha-Isobutyl-4-hydroxybenzyl alcohol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Isobutyl-4-hydroxybenzyl alcohol. With a topological polar surface area (TPSA) of 40.5 Ų, alpha-Isobutyl-4-hydroxybenzyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Isobutyl-4-hydroxybenzyl alcohol has 2 hydrogen bond donor(s) and 2 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 alpha-Isobutyl-4-hydroxybenzyl alcohol?
The CAS number of alpha-Isobutyl-4-hydroxybenzyl alcohol is 1805-60-3.
What is the molecular formula of alpha-Isobutyl-4-hydroxybenzyl alcohol?
The molecular formula of alpha-Isobutyl-4-hydroxybenzyl alcohol is C11H16O2.
What is the molecular weight of alpha-Isobutyl-4-hydroxybenzyl alcohol?
The molecular weight of alpha-Isobutyl-4-hydroxybenzyl alcohol is 180.12 g/mol.
Where can I buy alpha-Isobutyl-4-hydroxybenzyl alcohol?
You can request a quote for alpha-Isobutyl-4-hydroxybenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Isobutyl-4-hydroxybenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for alpha-Isobutyl-4-hydroxybenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.