Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate
TL;DR: Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate (CAS 64641-84-5) is a chemical compound with molecular formula C22H20O2 and molecular weight 316.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-phenylpropan-2-yl)phenyl] benzoate
Also Known As: p-Cumylphenyl benzoate, 4-(1-Methyl-1-phenylethyl)phenyl benzoate, Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate, Phenol, 4-(1-methyl-1-phenylethyl)-, benzoate, 4-(1-methyl-1-phenylethyl)phenylbenzoate
| Molecular Formula | C22H20O2 |
|---|---|
| Molecular Weight | 316.15 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.14633 |
| Heavy Atoms | 24 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 64641-84-5 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3 |
| InChIKey | IKYNDBQJTHKDIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate (CAS 64641-84-5), with molecular formula C22H20O2 and molecular weight 316.15 g/mol. IUPAC: [4-(2-phenylpropan-2-yl)phenyl] benzoate.
Chemical Property Profile of Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate
Property Insights of Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate
The XLogP value of 6.4 indicates that Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate?
The CAS number of Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate is 64641-84-5.
What is the molecular formula of Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate?
The molecular formula of Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate is C22H20O2.
What is the molecular weight of Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate?
The molecular weight of Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate is 316.15 g/mol.
Where can I buy Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate?
You can request a quote for Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-(1-methyl-1-phenylethyl)-, 1-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.