2-(Chloromethyl)phenol
TL;DR: 2-(Chloromethyl)phenol (CAS 40053-98-3) is a chemical compound with molecular formula C7H7ClO and molecular weight 142.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)phenol
Also Known As: 2-(chloromethyl)phenol, Chlorocresol, o-Hydroxybenzylchloride, chloromethylphenol, 2-CHLOROMETHYLPHENOL
| Molecular Formula | C7H7ClO |
|---|---|
| Molecular Weight | 142.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.01854 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 40053-98-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CCl)O |
| InChIKey | AUESJGZPPPVYJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Chloromethyl)phenol (CAS 40053-98-3), with molecular formula C7H7ClO and molecular weight 142.02 g/mol. IUPAC: 2-(chloromethyl)phenol.
Chemical Property Profile of 2-(Chloromethyl)phenol
Property Insights of 2-(Chloromethyl)phenol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)phenol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-(Chloromethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)phenol 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 2-(Chloromethyl)phenol?
The CAS number of 2-(Chloromethyl)phenol is 40053-98-3.
What is the molecular formula of 2-(Chloromethyl)phenol?
The molecular formula of 2-(Chloromethyl)phenol is C7H7ClO.
What is the molecular weight of 2-(Chloromethyl)phenol?
The molecular weight of 2-(Chloromethyl)phenol is 142.02 g/mol.
Where can I buy 2-(Chloromethyl)phenol?
You can request a quote for 2-(Chloromethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.