4-Chloro-2-(propan-2-yloxymethyl)phenol
TL;DR: 4-Chloro-2-(propan-2-yloxymethyl)phenol (CAS 6957-44-4) is a chemical compound with molecular formula C10H13ClO2 and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(propan-2-yloxymethyl)phenol
Also Known As: 4-chloro-2-(isopropoxymethyl)phenol, 4-chloro-2-(propan-2-yloxymethyl)phenol, 4-chloro-2-[(propan-2-yloxy)methyl]phenol, 4-Chloro-2-{[(propan-2-yl)oxy]methyl}phenol, Phenol,4-chloro-2-[(1-methylethoxy)methyl]-
| Molecular Formula | C10H13ClO2 |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.06041 |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 6957-44-4 |
|---|---|
| SMILES | CC(C)OCC1=C(C=CC(=C1)Cl)O |
| InChIKey | AQMGUCIRAHYSBS-UHFFFAOYSA-N |
Product Overview
4-Chloro-2-(propan-2-yloxymethyl)phenol (CAS 6957-44-4), with molecular formula C10H13ClO2 and molecular weight 200.06 g/mol. IUPAC: 4-chloro-2-(propan-2-yloxymethyl)phenol.
Chemical Property Profile of 4-Chloro-2-(propan-2-yloxymethyl)phenol
Property Insights of 4-Chloro-2-(propan-2-yloxymethyl)phenol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-(propan-2-yloxymethyl)phenol. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Chloro-2-(propan-2-yloxymethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(propan-2-yloxymethyl)phenol has 1 hydrogen bond donor(s) and 2 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-Chloro-2-(propan-2-yloxymethyl)phenol?
The CAS number of 4-Chloro-2-(propan-2-yloxymethyl)phenol is 6957-44-4.
What is the molecular formula of 4-Chloro-2-(propan-2-yloxymethyl)phenol?
The molecular formula of 4-Chloro-2-(propan-2-yloxymethyl)phenol is C10H13ClO2.
What is the molecular weight of 4-Chloro-2-(propan-2-yloxymethyl)phenol?
The molecular weight of 4-Chloro-2-(propan-2-yloxymethyl)phenol is 200.06 g/mol.
Where can I buy 4-Chloro-2-(propan-2-yloxymethyl)phenol?
You can request a quote for 4-Chloro-2-(propan-2-yloxymethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(propan-2-yloxymethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(propan-2-yloxymethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.