5,7-dichloro-2,3-dihydroinden-1-one

C9H6Cl2O — CID 22292346

IUPAC5,7-dichloro-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C9H6Cl2O/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4H,1-2H2
InChIKeyTWNXYJNWNZZECV-UHFFFAOYSA-N
MW201.05 g/mol
LogP3.12
Rot. Bonds

About 5,7-dichloro-2,3-dihydroinden-1-one

5,7-dichloro-2,3-dihydroinden-1-one (PubChem CID 22292346) has the molecular formula C9H6Cl2O and a molecular weight of 201.05 g/mol. Its IUPAC name is 5,7-dichloro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,7-dichloro-2,3-dihydroinden-1-one
PubChem CID22292346
Molecular FormulaC9H6Cl2O
Molecular Weight201.05 g/mol
Exact Mass199.98
IUPAC Name5,7-dichloro-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C9H6Cl2O/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4H,1-2H2
InChIKeyTWNXYJNWNZZECV-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,7-dichloro-2,3-dihydroinden-1-one 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 5,7-dichloro-2,3-dihydroinden-1-one?
The IUPAC name of 5,7-dichloro-2,3-dihydroinden-1-one (CID 22292346) is 5,7-dichloro-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,7-dichloro-2,3-dihydroinden-1-one?
The canonical SMILES for 5,7-dichloro-2,3-dihydroinden-1-one is O=C1CCc2cc(Cl)cc(Cl)c21.
What is the InChIKey of 5,7-dichloro-2,3-dihydroinden-1-one?
The InChIKey is TWNXYJNWNZZECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2O/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4H,1-2H2.
What are the key properties of 5,7-dichloro-2,3-dihydroinden-1-one?
5,7-dichloro-2,3-dihydroinden-1-one has a molecular weight of 201.05 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2,3-dihydroinden-1-one is sourced from PubChem (CID 22292346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).