2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone

C8H4Cl4O — CID 75284

IUPAC2,2-dichloro-1-(2,4-dichlorophenyl)ethanone
SMILESC1=CC(=C(C=C1Cl)Cl)C(=O)C(Cl)Cl
InChIInChI=1S/C8H4Cl4O/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,8H
InChIKeyLRXWJPURTZCTEH-UHFFFAOYSA-N
MW257.90 g/mol
LogP4.20
Rot. Bonds2

About 2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone

2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone (PubChem CID 75284) has the molecular formula C8H4Cl4O and a molecular weight of 257.90 g/mol. Its IUPAC name is 2,2-dichloro-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone
PubChem CID75284
Molecular FormulaC8H4Cl4O
Molecular Weight257.90 g/mol
Exact Mass257.90
IUPAC Name2,2-dichloro-1-(2,4-dichlorophenyl)ethanone
SMILESC1=CC(=C(C=C1Cl)Cl)C(=O)C(Cl)Cl
InChIInChI=1S/C8H4Cl4O/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,8H
InChIKeyLRXWJPURTZCTEH-UHFFFAOYSA-N
XLogP4.20
TPSA17.10 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity195

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.90
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone (CID 75284) is 2,2-dichloro-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone is C1=CC(=C(C=C1Cl)Cl)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is LRXWJPURTZCTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl4O/c9-4-1-2-5(6(10)3-4)7(13)8(11)12/h1-3,8H.
What are the key properties of 2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone?
2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 257.90 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 75284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).