1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one

C9H7Cl2IO2 — CID 70254435

IUPAC1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one
SMILESCC(O)(I)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2IO2/c1-9(12,14)8(13)6-3-2-5(10)4-7(6)11/h2-4,14H,1H3
InChIKeyOISHJILTWWYPET-UHFFFAOYSA-N
MW344.96 g/mol
LogP3.32
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one

1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one (PubChem CID 70254435) has the molecular formula C9H7Cl2IO2 and a molecular weight of 344.96 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one
PubChem CID70254435
Molecular FormulaC9H7Cl2IO2
Molecular Weight344.96 g/mol
Exact Mass343.89
IUPAC Name1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one
SMILESCC(O)(I)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2IO2/c1-9(12,14)8(13)6-3-2-5(10)4-7(6)11/h2-4,14H,1H3
InChIKeyOISHJILTWWYPET-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.96
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one
CID 102549756
2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone
CID 130477601
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
2,4-ditert-butyl-1,5-bis(2,4-dichlorophenyl)pentane-1,3,5-trione
CID 139770202
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
2-bromo-1-(2,4-dichlorophenyl)-2-methylsulfonylbutan-1-one
CID 102549915
2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291543
sodium (2,4-dichlorobenzoyl)azanide
CID 143659946
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261533

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one (CID 70254435) is 1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one is CC(O)(I)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one?
The InChIKey is OISHJILTWWYPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2IO2/c1-9(12,14)8(13)6-3-2-5(10)4-7(6)11/h2-4,14H,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one?
1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one has a molecular weight of 344.96 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one is sourced from PubChem (CID 70254435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).