4-Benzyl-2-chlorophenol
TL;DR: 4-Benzyl-2-chlorophenol (CAS 31089-49-3) is a chemical compound with molecular formula C13H11ClO and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-2-chlorophenol
Also Known As: 4-Benzyl-2-chlorophenol, P-BENZYL-O-CHLOROPHENOL, Phenol, 2-chloro-4-(phenylmethyl)-, 2-chloro-4-(phenylmethyl)-phenol, 2-Chloro-alpha-phenyl-p-cresol
| Molecular Formula | C13H11ClO |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.04984 |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 31089-49-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)Cl |
| InChIKey | SBMDBLZQVGUFAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzyl-2-chlorophenol (CAS 31089-49-3), with molecular formula C13H11ClO and molecular weight 218.05 g/mol. IUPAC: 4-benzyl-2-chlorophenol.
Chemical Property Profile of 4-Benzyl-2-chlorophenol
Property Insights of 4-Benzyl-2-chlorophenol
The XLogP value of 4.1 indicates that 4-Benzyl-2-chlorophenol 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-Benzyl-2-chlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-2-chlorophenol 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-Benzyl-2-chlorophenol?
The CAS number of 4-Benzyl-2-chlorophenol is 31089-49-3.
What is the molecular formula of 4-Benzyl-2-chlorophenol?
The molecular formula of 4-Benzyl-2-chlorophenol is C13H11ClO.
What is the molecular weight of 4-Benzyl-2-chlorophenol?
The molecular weight of 4-Benzyl-2-chlorophenol is 218.05 g/mol.
Where can I buy 4-Benzyl-2-chlorophenol?
You can request a quote for 4-Benzyl-2-chlorophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-2-chlorophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-2-chlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.