(Chloromethyl)phenol
TL;DR: (Chloromethyl)phenol (CAS 30915-79-8) is a chemical compound with molecular formula C21H21Cl3O3 and molecular weight 426.05563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(chloromethyl)phenol;3-(chloromethyl)phenol;4-(chloromethyl)phenol
Also Known As: (CHLOROMETHYL)PHENOL, 2-(chloromethyl)phenol; 3-(chloromethyl)phenol; 4-(chloromethyl)phenol
Technical Specifications
| Molecular Formula | C21H21Cl3O3 |
| Molecular Weight | 426.05563 g/mol |
| XLogP | 6.39 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.05563 Da |
| Heavy Atoms | 27 |
| Complexity | 247.0 |
| SMILES | C1=CC=C(C(=C1)CCl)O.C1=CC(=CC(=C1)O)CCl.C1=CC(=CC=C1CCl)O |
| InChIKey | NCELRBRNHFQRDW-UHFFFAOYSA-N |
Chemical Property Profile of (Chloromethyl)phenol
Property Insights of (Chloromethyl)phenol
The XLogP value of 6.39 indicates that (Chloromethyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (Chloromethyl)phenol. Following Lipinski's Rule of Five, (Chloromethyl)phenol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (Chloromethyl)phenol?
The CAS number of (Chloromethyl)phenol is 30915-79-8.
What is the molecular formula of (Chloromethyl)phenol?
The molecular formula of (Chloromethyl)phenol is C21H21Cl3O3.
What is the molecular weight of (Chloromethyl)phenol?
The molecular weight of (Chloromethyl)phenol is 426.05563 g/mol.
Where can I buy (Chloromethyl)phenol?
You can request a quote for (Chloromethyl)phenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Chloromethyl)phenol?
Yes, CoreyChem provides custom synthesis services for (Chloromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.