3-Isopropylphenol
TL;DR: 3-Isopropylphenol (CAS 618-45-1) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-ylphenol
Also Known As: 3-Isopropylphenol, m-Cumenol, M-ISOPROPYLPHENOL, 3-propan-2-ylphenol, Phenol, m-isopropyl-
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 618-45-1 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)O |
| InChIKey | VLJSLTNSFSOYQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isopropylphenol (CAS 618-45-1), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 3-propan-2-ylphenol.
Chemical Property Profile of 3-Isopropylphenol
Property Insights of 3-Isopropylphenol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropylphenol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Isopropylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropylphenol 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-Isopropylphenol?
The CAS number of 3-Isopropylphenol is 618-45-1.
What is the molecular formula of 3-Isopropylphenol?
The molecular formula of 3-Isopropylphenol is C9H12O.
What is the molecular weight of 3-Isopropylphenol?
The molecular weight of 3-Isopropylphenol is 136.09 g/mol.
Where can I buy 3-Isopropylphenol?
You can request a quote for 3-Isopropylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropylphenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.