1-phenyl-2-(2,3,4-trichlorophenyl)ethanone

C14H9Cl3O — CID 175144459

IUPAC1-phenyl-2-(2,3,4-trichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C14H9Cl3O/c15-11-7-6-10(13(16)14(11)17)8-12(18)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyYEIBJLUCQXJLIM-UHFFFAOYSA-N
MW299.58 g/mol
LogP5.07
Rot. Bonds3

About 1-phenyl-2-(2,3,4-trichlorophenyl)ethanone

1-phenyl-2-(2,3,4-trichlorophenyl)ethanone (PubChem CID 175144459) has the molecular formula C14H9Cl3O and a molecular weight of 299.58 g/mol. Its IUPAC name is 1-phenyl-2-(2,3,4-trichlorophenyl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(2,3,4-trichlorophenyl)ethanone
PubChem CID175144459
Molecular FormulaC14H9Cl3O
Molecular Weight299.58 g/mol
Exact Mass297.97
IUPAC Name1-phenyl-2-(2,3,4-trichlorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)c(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C14H9Cl3O/c15-11-7-6-10(13(16)14(11)17)8-12(18)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyYEIBJLUCQXJLIM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107308085
2-(2,3-dichlorophenyl)-1-(4-iodophenyl)ethanone
CID 107311673
2-(2,4-dihydroxyphenyl)-1-phenylethanone
CID 15669269
CID 173152165
CID 173152165
N-[(2-chlorophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 619799
2-(2,3-dichlorophenyl)-1-(4-ethylphenyl)ethanone
CID 107307811
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
1-(2-chlorophenyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307846
4-phenacylbenzoyl iodide
CID 142013538
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,3,4-trichlorophenyl)ethanone?
The IUPAC name of 1-phenyl-2-(2,3,4-trichlorophenyl)ethanone (CID 175144459) is 1-phenyl-2-(2,3,4-trichlorophenyl)ethanone.
What is the SMILES notation for 1-phenyl-2-(2,3,4-trichlorophenyl)ethanone?
The canonical SMILES for 1-phenyl-2-(2,3,4-trichlorophenyl)ethanone is O=C(Cc1ccc(Cl)c(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2,3,4-trichlorophenyl)ethanone?
The InChIKey is YEIBJLUCQXJLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O/c15-11-7-6-10(13(16)14(11)17)8-12(18)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 1-phenyl-2-(2,3,4-trichlorophenyl)ethanone?
1-phenyl-2-(2,3,4-trichlorophenyl)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 1-phenyl-2-(2,3,4-trichlorophenyl)ethanone is sourced from PubChem (CID 175144459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).