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

C8H5Cl3O — CID 20250

IUPAC2-chloro-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChIKeyVYWPPRLJNVHPEU-UHFFFAOYSA-N
MW223.49 g/mol
LogP3.41
Rot. Bonds2

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

2-chloro-1-(2,4-dichlorophenyl)ethanone (PubChem CID 20250) has the molecular formula C8H5Cl3O and a molecular weight of 223.49 g/mol. Its IUPAC name is 2-chloro-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2,4-dichlorophenyl)ethanone
PubChem CID20250
Molecular FormulaC8H5Cl3O
Molecular Weight223.49 g/mol
Exact Mass221.94
IUPAC Name2-chloro-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(CCl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChIKeyVYWPPRLJNVHPEU-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.49
LogP ≤ 53.41
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-chloro-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-chloro-1-(2,4-dichlorophenyl)ethanone (CID 20250) is 2-chloro-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-chloro-1-(2,4-dichlorophenyl)ethanone is O=C(CCl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is VYWPPRLJNVHPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2.
What are the key properties of 2-chloro-1-(2,4-dichlorophenyl)ethanone?
2-chloro-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 223.49 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 20250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).