Phenol, 3-heptyl-
TL;DR: Phenol, 3-heptyl- (CAS 103151-49-1) is a chemical compound with molecular formula C13H20O and molecular weight 192.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-heptylphenol
Also Known As: 3-heptylphenol, Phenol, 3-heptyl-, 3-Heptyl-phenol, 3-n-Heptylphenol
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H20O |
| Molecular Weight | 192.15141 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.15141 Da |
| Heavy Atoms | 14 |
| Complexity | 133.0 |
| SMILES | CCCCCCCC1=CC(=CC=C1)O |
| InChIKey | KCDFHCLOYLFCDE-UHFFFAOYSA-N |
Chemical Property Profile of Phenol, 3-heptyl-
Property Insights of Phenol, 3-heptyl-
The XLogP value of 5.1 indicates that Phenol, 3-heptyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Phenol, 3-heptyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3-heptyl- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phenol, 3-heptyl-?
The CAS number of Phenol, 3-heptyl- is 103151-49-1.
What is the molecular formula of Phenol, 3-heptyl-?
The molecular formula of Phenol, 3-heptyl- is C13H20O.
What is the molecular weight of Phenol, 3-heptyl-?
The molecular weight of Phenol, 3-heptyl- is 192.15141 g/mol.
Where can I buy Phenol, 3-heptyl-?
You can request a quote for Phenol, 3-heptyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenol, 3-heptyl-?
Yes, CoreyChem provides custom synthesis services for Phenol, 3-heptyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.