3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol
TL;DR: 3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol (CAS 10425-87-3) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(2,4,5-trimethylphenyl)butan-1-ol
Also Known As: 3-methyl-1-(2,4,5-trimethylphenyl)butan-1-ol, alpha-Isobutyl-2,4,5-trimethylbenzyl alcohol, alpha-isobutyl-2,4,5-trimethyl-benzyl alcohol, Benzyl alcohol, .alpha.-isobutyl-2,4,5-trimethyl-, 3-Methyl-1-(2,4,5-trimethylphenyl)-1-butanol
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 10425-87-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)C(CC(C)C)O)C |
| InChIKey | YROFLNGALVMWIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol (CAS 10425-87-3), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 3-methyl-1-(2,4,5-trimethylphenyl)butan-1-ol.
Chemical Property Profile of 3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol
Property Insights of 3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol
The XLogP value of 3.9 indicates that 3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-(2,4,5-trimethylphenyl)butan-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-(2,4,5-trimethylphenyl)butan-1-ol?
The CAS number of 3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol is 10425-87-3.
What is the molecular formula of 3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol?
The molecular formula of 3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol is C14H22O.
What is the molecular weight of 3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol?
The molecular weight of 3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol is 206.17 g/mol.
Where can I buy 3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol?
You can request a quote for 3-Methyl-1-(2,4,5-trimethylphenyl)butan-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-(2,4,5-trimethylphenyl)butan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-(2,4,5-trimethylphenyl)butan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.