2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone

C14H9Cl3O — CID 63492855

IUPAC2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O/c15-10-3-1-2-9(6-10)7-14(18)12-5-4-11(16)8-13(12)17/h1-6,8H,7H2
InChIKeyIBTYAANPPJETRX-UHFFFAOYSA-N
MW299.58 g/mol
LogP5.07
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone

2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone (PubChem CID 63492855) has the molecular formula C14H9Cl3O and a molecular weight of 299.58 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
PubChem CID63492855
Molecular FormulaC14H9Cl3O
Molecular Weight299.58 g/mol
Exact Mass297.97
IUPAC Name2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3O/c15-10-3-1-2-9(6-10)7-14(18)12-5-4-11(16)8-13(12)17/h1-6,8H,7H2
InChIKeyIBTYAANPPJETRX-UHFFFAOYSA-N
XLogP5.07
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 ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
CID 63528200
1-(2,4-dichlorophenyl)-2-pyridin-4-ylethanone
CID 22142437
1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 115736507
1-(2-chloro-4-methylphenyl)-2-(3-methylphenyl)ethanone
CID 106861502
2-(3-chlorophenyl)-1-(2-methylphenyl)ethanone
CID 60799246
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
1-(2-chloro-5-nitrophenyl)-2-(3-chlorophenyl)ethanone
CID 148638353
1-(2,4-dichlorophenyl)-2-(2,6-dichlorophenyl)sulfinylethanone
CID 115477694
1-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethanone
CID 55196773
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 62388067
1-(3-chlorophenyl)propan-2-one
CID 2734097
1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethanone
CID 63528907

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone (CID 63492855) is 2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone is O=C(Cc1cccc(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is IBTYAANPPJETRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O/c15-10-3-1-2-9(6-10)7-14(18)12-5-4-11(16)8-13(12)17/h1-6,8H,7H2.
What are the key properties of 2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone?
2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 299.58 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 63492855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).