1-(3,5-dichloro-2-iodophenyl)ethanone

C8H5Cl2IO — CID 171006627

IUPAC1-(3,5-dichloro-2-iodophenyl)ethanone
SMILESCC(=O)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C8H5Cl2IO/c1-4(12)6-2-5(9)3-7(10)8(6)11/h2-3H,1H3
InChIKeySWOXIPKAXIGRKV-UHFFFAOYSA-N
MW314.94 g/mol
LogP3.80
Rot. Bonds1

About 1-(3,5-dichloro-2-iodophenyl)ethanone

1-(3,5-dichloro-2-iodophenyl)ethanone (PubChem CID 171006627) has the molecular formula C8H5Cl2IO and a molecular weight of 314.94 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dichloro-2-iodophenyl)ethanone
PubChem CID171006627
Molecular FormulaC8H5Cl2IO
Molecular Weight314.94 g/mol
Exact Mass313.88
IUPAC Name1-(3,5-dichloro-2-iodophenyl)ethanone
SMILESCC(=O)c1cc(Cl)cc(Cl)c1I
InChIInChI=1S/C8H5Cl2IO/c1-4(12)6-2-5(9)3-7(10)8(6)11/h2-3H,1H3
InChIKeySWOXIPKAXIGRKV-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.94
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-iodo-3-methylphenyl)ethanone
CID 171003749
1-(3-chloro-2-iodo-5-methylphenyl)ethanone
CID 171003947
3-acetyl-5-chloro-4-iodobenzonitrile
CID 171009542
1-[5-chloro-3-(difluoromethyl)-2-iodophenyl]ethanone
CID 171009758
ethyl 3,5-dichloro-2-iodobenzoate
CID 75361260
3,5-dichloro-N-ethoxy-2-iodobenzamide
CID 60700722
1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
3,5-dichloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-iodobenzamide
CID 107866638
3,5-dichloro-N-(3-hydroxy-2-methylpropyl)-2-iodobenzamide
CID 65036837
3,5-dichloro-N-[(2S)-1-hydroxybutan-2-yl]-2-iodobenzamide
CID 93033016
methyl 2-[(3,5-dichloro-2-iodobenzoyl)-methylamino]acetate
CID 43407668
3-[(3,5-dichloro-2-iodobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172799

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-iodophenyl)ethanone?
The IUPAC name of 1-(3,5-dichloro-2-iodophenyl)ethanone (CID 171006627) is 1-(3,5-dichloro-2-iodophenyl)ethanone.
What is the SMILES notation for 1-(3,5-dichloro-2-iodophenyl)ethanone?
The canonical SMILES for 1-(3,5-dichloro-2-iodophenyl)ethanone is CC(=O)c1cc(Cl)cc(Cl)c1I.
What is the InChIKey of 1-(3,5-dichloro-2-iodophenyl)ethanone?
The InChIKey is SWOXIPKAXIGRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2IO/c1-4(12)6-2-5(9)3-7(10)8(6)11/h2-3H,1H3.
What are the key properties of 1-(3,5-dichloro-2-iodophenyl)ethanone?
1-(3,5-dichloro-2-iodophenyl)ethanone has a molecular weight of 314.94 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-iodophenyl)ethanone is sourced from PubChem (CID 171006627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).