2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone

C10H8Cl4O — CID 146005570

IUPAC2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)C(Cl)(Cl)Cl)cc(C)c1Cl
InChIInChI=1S/C10H8Cl4O/c1-5-3-7(4-6(2)8(5)11)9(15)10(12,13)14/h3-4H,1-2H3
InChIKeyQOBATFWEHKDLHF-UHFFFAOYSA-N
MW285.99 g/mol
LogP4.51
Rot. Bonds1

About 2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone

2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone (PubChem CID 146005570) has the molecular formula C10H8Cl4O and a molecular weight of 285.99 g/mol. Its IUPAC name is 2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone
PubChem CID146005570
Molecular FormulaC10H8Cl4O
Molecular Weight285.99 g/mol
Exact Mass283.93
IUPAC Name2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone
SMILESCc1cc(C(=O)C(Cl)(Cl)Cl)cc(C)c1Cl
InChIInChI=1S/C10H8Cl4O/c1-5-3-7(4-6(2)8(5)11)9(15)10(12,13)14/h3-4H,1-2H3
InChIKeyQOBATFWEHKDLHF-UHFFFAOYSA-N
XLogP4.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.99
LogP ≤ 54.51
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

2,2-dichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone
CID 130966551
3,4-dichloro-5-methylbenzamide
CID 121228378
1-(4-chloro-3,5-dimethylphenyl)butan-1-one
CID 91656871
2,2,2-trichloro-1-(2-methylpyrimidin-5-yl)ethanone
CID 57220184
2-chloro-1-(4-chloro-3,5-dimethylphenyl)butan-1-one
CID 146005576
2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate
CID 177306970
5-(4-chloro-3,5-dimethylphenyl)-5-oxopentanoic acid
CID 91657626
1-(4-chloro-3-fluoro-5-methylphenyl)ethanone
CID 118845013
2-chloro-1-(3,4-dimethylphenyl)-2,2-difluoroethanone
CID 91636142
1-(4-chloro-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 58252483
1-(4-chloro-3,5-dimethylphenyl)propan-2-one
CID 84774110
2-(4-chloro-3,5-dimethylphenoxy)-2-methylpropanoyl chloride
CID 46779617

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone?
The IUPAC name of 2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone (CID 146005570) is 2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone is Cc1cc(C(=O)C(Cl)(Cl)Cl)cc(C)c1Cl.
What is the InChIKey of 2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone?
The InChIKey is QOBATFWEHKDLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl4O/c1-5-3-7(4-6(2)8(5)11)9(15)10(12,13)14/h3-4H,1-2H3.
What are the key properties of 2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone?
2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone has a molecular weight of 285.99 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-(4-chloro-3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 146005570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).