4-Cumylphenol
TL;DR: 4-Cumylphenol (CAS 599-64-4) is a chemical compound with molecular formula C15H16O and molecular weight 212.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenylpropan-2-yl)phenol
Also Known As: 4-Cumylphenol, p-Cumylphenol, 4-alpha-Cumylphenol, 4-(2-phenylpropan-2-yl)phenol, p-Cumyl phenol
| Molecular Formula | C15H16O |
|---|---|
| Molecular Weight | 212.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.12012 |
| Heavy Atoms | 16 |
| Complexity | 207.0 |
| Melting Point | 74.5 °C |
| Boiling Point | 335 °C |
| Density | 1.115 g/mL at 25 °C |
| Vapor Pressure | 0.000025 [mmHg] |
Chemical Identifiers
| CAS Number | 599-64-4 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O |
| InChIKey | QBDSZLJBMIMQRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cumylphenol (CAS 599-64-4), with molecular formula C15H16O and molecular weight 212.12 g/mol. IUPAC: 4-(2-phenylpropan-2-yl)phenol.
Chemical Property Profile of 4-Cumylphenol
Property Insights of 4-Cumylphenol
The XLogP value of 3.7 indicates that 4-Cumylphenol 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-Cumylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cumylphenol 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 4-Cumylphenol?
The CAS number of 4-Cumylphenol is 599-64-4.
What is the molecular formula of 4-Cumylphenol?
The molecular formula of 4-Cumylphenol is C15H16O.
What is the molecular weight of 4-Cumylphenol?
The molecular weight of 4-Cumylphenol is 212.12 g/mol.
Where can I buy 4-Cumylphenol?
You can request a quote for 4-Cumylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cumylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Cumylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.