2-Isobutylphenol
TL;DR: 2-Isobutylphenol (CAS 4167-75-3) is a chemical compound with molecular formula C10H14O and molecular weight 150.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropyl)phenol
Also Known As: 2-Isobutylphenol, Isobutylphenol, o-Isobutylphenol, 2-(2-Methylpropyl)phenol, Phenol, o-isobutyl-
| Molecular Formula | C10H14O |
|---|---|
| Molecular Weight | 150.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.10446 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 4167-75-3 |
|---|---|
| SMILES | CC(C)CC1=CC=CC=C1O |
| InChIKey | NFIDBGJMFKNGGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isobutylphenol (CAS 4167-75-3), with molecular formula C10H14O and molecular weight 150.10 g/mol. IUPAC: 2-(2-methylpropyl)phenol.
Chemical Property Profile of 2-Isobutylphenol
Property Insights of 2-Isobutylphenol
The XLogP value of 3.3 indicates that 2-Isobutylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Isobutylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isobutylphenol 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 2-Isobutylphenol?
The CAS number of 2-Isobutylphenol is 4167-75-3.
What is the molecular formula of 2-Isobutylphenol?
The molecular formula of 2-Isobutylphenol is C10H14O.
What is the molecular weight of 2-Isobutylphenol?
The molecular weight of 2-Isobutylphenol is 150.10 g/mol.
Where can I buy 2-Isobutylphenol?
You can request a quote for 2-Isobutylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isobutylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobutylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.