2-chloro-1-(2,4-diiodophenyl)propan-1-one

C9H7ClI2O — CID 131191419

IUPAC2-chloro-1-(2,4-diiodophenyl)propan-1-one
SMILESCC(Cl)C(=O)c1ccc(I)cc1I
InChIInChI=1S/C9H7ClI2O/c1-5(10)9(13)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyFWPSHOFQSFHKIW-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.71
Rot. Bonds2

About 2-chloro-1-(2,4-diiodophenyl)propan-1-one

2-chloro-1-(2,4-diiodophenyl)propan-1-one (PubChem CID 131191419) has the molecular formula C9H7ClI2O and a molecular weight of 420.42 g/mol. Its IUPAC name is 2-chloro-1-(2,4-diiodophenyl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(2,4-diiodophenyl)propan-1-one
PubChem CID131191419
Molecular FormulaC9H7ClI2O
Molecular Weight420.42 g/mol
Exact Mass419.83
IUPAC Name2-chloro-1-(2,4-diiodophenyl)propan-1-one
SMILESCC(Cl)C(=O)c1ccc(I)cc1I
InChIInChI=1S/C9H7ClI2O/c1-5(10)9(13)7-3-2-6(11)4-8(7)12/h2-5H,1H3
InChIKeyFWPSHOFQSFHKIW-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(difluoromethoxy)-5-iodophenyl]propan-1-one
CID 134619508
2-bromo-1-(2-bromo-4-iodophenyl)propan-1-one
CID 118838052
2,4-diiodobenzohydrazide
CID 67233713
2-bromo-1-[4-(chloromethyl)-2-iodophenyl]propan-1-one
CID 131091270
1-[2,4-bis(difluoromethyl)phenyl]-2-chloropropan-1-one
CID 166640747
1-(4-amino-2-sulfanylphenyl)-2-chloropropan-1-one
CID 118804186
2-chloro-1-(2-chlorophenyl)propan-1-one
CID 12808115
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619728
2-chloro-1-[2-(difluoromethyl)-4-methylphenyl]propan-1-one
CID 131415282
2-[5-bromo-2-(2-chloropropanoyl)phenyl]acetic acid
CID 134629317
2-chloro-1-[2-(chloromethyl)-4-fluorophenyl]propan-1-one
CID 131075632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,4-diiodophenyl)propan-1-one?
The IUPAC name of 2-chloro-1-(2,4-diiodophenyl)propan-1-one (CID 131191419) is 2-chloro-1-(2,4-diiodophenyl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(2,4-diiodophenyl)propan-1-one?
The canonical SMILES for 2-chloro-1-(2,4-diiodophenyl)propan-1-one is CC(Cl)C(=O)c1ccc(I)cc1I.
What is the InChIKey of 2-chloro-1-(2,4-diiodophenyl)propan-1-one?
The InChIKey is FWPSHOFQSFHKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClI2O/c1-5(10)9(13)7-3-2-6(11)4-8(7)12/h2-5H,1H3.
What are the key properties of 2-chloro-1-(2,4-diiodophenyl)propan-1-one?
2-chloro-1-(2,4-diiodophenyl)propan-1-one has a molecular weight of 420.42 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,4-diiodophenyl)propan-1-one is sourced from PubChem (CID 131191419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).