2-Propylphenol
TL;DR: 2-Propylphenol (CAS 644-35-9) 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.
2-propylphenol
Also Known As: 2-PROPYLPHENOL, 2-n-Propylphenol, o-Propylphenol, Phenol, 2-propyl-, Phenol, o-propyl-
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
| Melting Point | 7 °C |
| Boiling Point | 224.00 to 226.00 °C. @ 760.00 mm Hg |
| Density | 0.988-0.996 |
| Solubility | slightly soluble in water; soluble in oils |
| Refractive Index | 1.524-1.528 |
Chemical Identifiers
| CAS Number | 644-35-9 |
|---|---|
| SMILES | CCCC1=CC=CC=C1O |
| InChIKey | LCHYEKKJCUJAKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propylphenol (CAS 644-35-9), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: 2-propylphenol.
Chemical Property Profile of 2-Propylphenol
Property Insights of 2-Propylphenol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propylphenol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Propylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propylphenol 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-Propylphenol?
The CAS number of 2-Propylphenol is 644-35-9.
What is the molecular formula of 2-Propylphenol?
The molecular formula of 2-Propylphenol is C9H12O.
What is the molecular weight of 2-Propylphenol?
The molecular weight of 2-Propylphenol is 136.09 g/mol.
Where can I buy 2-Propylphenol?
You can request a quote for 2-Propylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Propylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.