1,2-dichlorobenzene;dioxane

C10H12Cl2O2 — CID 174792665

IUPAC1,2-dichlorobenzene;dioxane
SMILESC1CCOOC1.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C4H8O2/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1/h1-4H;1-4H2
InChIKeyTXQVGLUOGSBVQN-UHFFFAOYSA-N
MW235.11 g/mol
LogP3.72
Rot. Bonds

About 1,2-dichlorobenzene;dioxane

1,2-dichlorobenzene;dioxane (PubChem CID 174792665) has the molecular formula C10H12Cl2O2 and a molecular weight of 235.11 g/mol. Its IUPAC name is 1,2-dichlorobenzene;dioxane.

Molecular Properties

Compound Name1,2-dichlorobenzene;dioxane
PubChem CID174792665
Molecular FormulaC10H12Cl2O2
Molecular Weight235.11 g/mol
Exact Mass234.02
IUPAC Name1,2-dichlorobenzene;dioxane
SMILESC1CCOOC1.Clc1ccccc1Cl
InChIInChI=1S/C6H4Cl2.C4H8O2/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1/h1-4H;1-4H2
InChIKeyTXQVGLUOGSBVQN-UHFFFAOYSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1,2-dichlorobenzene;dioxane 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 1,2-dichlorobenzene;dioxane?
The IUPAC name of 1,2-dichlorobenzene;dioxane (CID 174792665) is 1,2-dichlorobenzene;dioxane.
What is the SMILES notation for 1,2-dichlorobenzene;dioxane?
The canonical SMILES for 1,2-dichlorobenzene;dioxane is C1CCOOC1.Clc1ccccc1Cl.
What is the InChIKey of 1,2-dichlorobenzene;dioxane?
The InChIKey is TXQVGLUOGSBVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2.C4H8O2/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1/h1-4H;1-4H2.
What are the key properties of 1,2-dichlorobenzene;dioxane?
1,2-dichlorobenzene;dioxane has a molecular weight of 235.11 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;dioxane is sourced from PubChem (CID 174792665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).