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

C14H9Cl3O — CID 81236882

IUPAC2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone
SMILESO=C(c1ccc(Cl)cc1Cl)C(Cl)c1ccccc1
InChIInChI=1S/C14H9Cl3O/c15-10-6-7-11(12(16)8-10)14(18)13(17)9-4-2-1-3-5-9/h1-8,13H
InChIKeyLJFBWCHNBWUMAD-UHFFFAOYSA-N
MW299.58 g/mol
LogP5.16
Rot. Bonds3

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

2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone (PubChem CID 81236882) has the molecular formula C14H9Cl3O and a molecular weight of 299.58 g/mol. Its IUPAC name is 2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone.

Molecular Properties

Compound Name2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone
PubChem CID81236882
Molecular FormulaC14H9Cl3O
Molecular Weight299.58 g/mol
Exact Mass297.97
IUPAC Name2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone
SMILESO=C(c1ccc(Cl)cc1Cl)C(Cl)c1ccccc1
InChIInChI=1S/C14H9Cl3O/c15-10-6-7-11(12(16)8-10)14(18)13(17)9-4-2-1-3-5-9/h1-8,13H
InChIKeyLJFBWCHNBWUMAD-UHFFFAOYSA-N
XLogP5.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.58
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 87217528
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
2-(benzenesulfinyl)-1-(2,4-dichlorophenyl)propan-1-one
CID 64637609
2-chloro-2-(4-chlorophenyl)-1-phenylethanone
CID 14247251
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010
(2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone
CID 104891231
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 1083374
2-chloro-1-(2,6-difluorophenyl)-2-phenylethanone
CID 81235854
2,3-dibromo-1-(2,4-dichlorophenyl)propan-1-one
CID 130136731

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone?
The IUPAC name of 2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone (CID 81236882) is 2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone.
What is the SMILES notation for 2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone?
The canonical SMILES for 2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone is O=C(c1ccc(Cl)cc1Cl)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone?
The InChIKey is LJFBWCHNBWUMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O/c15-10-6-7-11(12(16)8-10)14(18)13(17)9-4-2-1-3-5-9/h1-8,13H.
What are the key properties of 2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone?
2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone has a molecular weight of 299.58 g/mol, XLogP of 5.16, 3 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)-2-phenylethanone is sourced from PubChem (CID 81236882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).