InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H
TL;DR: InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H (CAS 56961-13-8) is a chemical compound with molecular formula C8H9ClO and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4,5-dimethylphenol
Also Known As: 3-chloro-4,5-dimethylphenol, 5-Chloro-3,4-dimethylphenol, 3-chloro-4,5-dimethyl-phenol, InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H
| Molecular Formula | C8H9ClO |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | 2.66244 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.0342 |
| Heavy Atoms | 10 |
| Complexity | 232.42966 |
Chemical Identifiers
| CAS Number | 56961-13-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)Cl)O |
Product Overview
InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H (CAS 56961-13-8), with molecular formula C8H9ClO and molecular weight 156.03 g/mol. IUPAC: 3-chloro-4,5-dimethylphenol.
Chemical Property Profile of InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H
Property Insights of InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H
The XLogP value of 2.66244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H. With a topological polar surface area (TPSA) of 20.23 Ų, InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H 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 InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H?
The CAS number of InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H is 56961-13-8.
What is the molecular formula of InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H?
The molecular formula of InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H is C8H9ClO.
What is the molecular weight of InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H?
The molecular weight of InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H is 156.03 g/mol.
Where can I buy InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H?
You can request a quote for InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H?
Yes, KEHONG BIO provides custom synthesis services for InChI=1/C8H9ClO/c1-5-3-7(10)4-8(9)6(5)2/h3-4,10H,1-2H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.