4-Benzylphenol
TL;DR: 4-Benzylphenol (CAS 101-53-1) is a chemical compound with molecular formula C13H12O and molecular weight 184.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzylphenol
Also Known As: 4-Benzylphenol, p-Benzylphenol, Fesiasept, 4-Hydroxyditane, Phenol, 4-(phenylmethyl)-
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12O |
| Molecular Weight | 184.08882 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.08882 Da |
| Heavy Atoms | 14 |
| Complexity | 153.0 |
| Vapor Pressure | 0.0000685 [mmHg] |
| SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)O |
| InChIKey | HJSPWKGEPDZNLK-UHFFFAOYSA-N |
Chemical Property Profile of 4-Benzylphenol
Property Insights of 4-Benzylphenol
The XLogP value of 3.5 indicates that 4-Benzylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Benzylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylphenol 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
What is the CAS number of 4-Benzylphenol?
The CAS number of 4-Benzylphenol is 101-53-1.
What is the molecular formula of 4-Benzylphenol?
The molecular formula of 4-Benzylphenol is C13H12O.
What is the molecular weight of 4-Benzylphenol?
The molecular weight of 4-Benzylphenol is 184.08882 g/mol.
Where can I buy 4-Benzylphenol?
You can request a quote for 4-Benzylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Benzylphenol?
Yes, CoreyChem provides custom synthesis services for 4-Benzylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.