2,6-dichlorophenol

C6H4Cl2O — CID 6899

IUPAC2,6-dichlorophenol
SMILESOc1c(Cl)cccc1Cl
InChIInChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKeyHOLHYSJJBXSLMV-UHFFFAOYSA-N
MW163.00 g/mol
LogP2.70
Rot. Bonds

About 2,6-dichlorophenol

2,6-dichlorophenol (PubChem CID 6899) has the molecular formula C6H4Cl2O and a molecular weight of 163.00 g/mol. Its IUPAC name is 2,6-dichlorophenol.

Molecular Properties

Compound Name2,6-dichlorophenol
PubChem CID6899
Molecular FormulaC6H4Cl2O
Molecular Weight163.00 g/mol
Exact Mass161.96
IUPAC Name2,6-dichlorophenol
SMILESOc1c(Cl)cccc1Cl
InChIInChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKeyHOLHYSJJBXSLMV-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.00
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-dichlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorophenol?
The IUPAC name of 2,6-dichlorophenol (CID 6899) is 2,6-dichlorophenol.
What is the SMILES notation for 2,6-dichlorophenol?
The canonical SMILES for 2,6-dichlorophenol is Oc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichlorophenol?
The InChIKey is HOLHYSJJBXSLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H.
What are the key properties of 2,6-dichlorophenol?
2,6-dichlorophenol has a molecular weight of 163.00 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorophenol is sourced from PubChem (CID 6899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).