6-(2-iodophenyl)hexan-3-one

C12H15IO — CID 11623608

IUPAC6-(2-iodophenyl)hexan-3-one
SMILESCCC(=O)CCCc1ccccc1I
InChIInChI=1S/C12H15IO/c1-2-11(14)8-5-7-10-6-3-4-9-12(10)13/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyQOQYJGMBUYJXBC-UHFFFAOYSA-N
MW302.15 g/mol
LogP3.59
Rot. Bonds5

About 6-(2-iodophenyl)hexan-3-one

6-(2-iodophenyl)hexan-3-one (PubChem CID 11623608) has the molecular formula C12H15IO and a molecular weight of 302.15 g/mol. Its IUPAC name is 6-(2-iodophenyl)hexan-3-one.

Molecular Properties

Compound Name6-(2-iodophenyl)hexan-3-one
PubChem CID11623608
Molecular FormulaC12H15IO
Molecular Weight302.15 g/mol
Exact Mass302.02
IUPAC Name6-(2-iodophenyl)hexan-3-one
SMILESCCC(=O)CCCc1ccccc1I
InChIInChI=1S/C12H15IO/c1-2-11(14)8-5-7-10-6-3-4-9-12(10)13/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeyQOQYJGMBUYJXBC-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(2-iodophenyl)hexan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethyl-4-methylideneheptyl)-2-iodobenzene
CID 11688718
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane
CID 155707646
6-quinolin-8-ylhexan-3-one
CID 132571149
6-(2-fluoro-3-methoxyphenyl)hexan-3-one
CID 104795064
bromomethane;1-(3-bromopropyl)-2-iodobenzene
CID 123156710
5-(2-iodophenyl)pentan-1-ol
CID 54534561
6-(2,5-dimethylphenyl)hexan-3-one
CID 64522526
ethyl 7-(2-iodophenyl)-2-oxohept-3-ynoate
CID 58164817
methyl 4-(2-hydroxy-3-iodophenyl)butanoate
CID 155290713
2,2,2-trifluoro-N-[2-(2-iodophenyl)ethyl]-N-methylacetamide
CID 102470809
1-(2-nitrophenyl)heptan-4-one
CID 63061957

Frequently Asked Questions

What is the IUPAC name of 6-(2-iodophenyl)hexan-3-one?
The IUPAC name of 6-(2-iodophenyl)hexan-3-one (CID 11623608) is 6-(2-iodophenyl)hexan-3-one.
What is the SMILES notation for 6-(2-iodophenyl)hexan-3-one?
The canonical SMILES for 6-(2-iodophenyl)hexan-3-one is CCC(=O)CCCc1ccccc1I.
What is the InChIKey of 6-(2-iodophenyl)hexan-3-one?
The InChIKey is QOQYJGMBUYJXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IO/c1-2-11(14)8-5-7-10-6-3-4-9-12(10)13/h3-4,6,9H,2,5,7-8H2,1H3.
What are the key properties of 6-(2-iodophenyl)hexan-3-one?
6-(2-iodophenyl)hexan-3-one has a molecular weight of 302.15 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-iodophenyl)hexan-3-one is sourced from PubChem (CID 11623608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).