2-cyclopropyl-1-(2-iodophenyl)ethanone

C11H11IO — CID 114974685

IUPAC2-cyclopropyl-1-(2-iodophenyl)ethanone
SMILESO=C(CC1CC1)c1ccccc1I
InChIInChI=1S/C11H11IO/c12-10-4-2-1-3-9(10)11(13)7-8-5-6-8/h1-4,8H,5-7H2
InChIKeyWIEVCEDWKVSGBQ-UHFFFAOYSA-N
MW286.11 g/mol
LogP3.27
Rot. Bonds3

About 2-cyclopropyl-1-(2-iodophenyl)ethanone

2-cyclopropyl-1-(2-iodophenyl)ethanone (PubChem CID 114974685) has the molecular formula C11H11IO and a molecular weight of 286.11 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-iodophenyl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-iodophenyl)ethanone
PubChem CID114974685
Molecular FormulaC11H11IO
Molecular Weight286.11 g/mol
Exact Mass285.99
IUPAC Name2-cyclopropyl-1-(2-iodophenyl)ethanone
SMILESO=C(CC1CC1)c1ccccc1I
InChIInChI=1S/C11H11IO/c12-10-4-2-1-3-9(10)11(13)7-8-5-6-8/h1-4,8H,5-7H2
InChIKeyWIEVCEDWKVSGBQ-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.11
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-1-(2-iodophenyl)ethanone 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

2-(4-tert-butylcyclohexyl)-1-[2-[2-(4-tert-butylcyclohexyl)acetyl]phenyl]ethanone
CID 23596752
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-iodophenyl)ethanone
CID 115780262
1-(2-iodophenyl)-2-nitroethanone
CID 130707599
2-cyclobutyl-1-(2-methylphenyl)ethanone
CID 65460155
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311
cycloheptyl-(2-iodophenyl)methanone
CID 115794862
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
4-(2-iodophenyl)-4-oxobutanoic acid
CID 24727008
dichloromethane;2-iodobenzoyl chloride
CID 174929981
1-(2-iodophenyl)-2-(4-methyl-7-methylidenecyclohept-3-en-1-yl)ethanone
CID 11003050
2-[1-(2-iodobenzoyl)azetidin-3-yl]acetic acid
CID 64603312
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-iodophenyl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(2-iodophenyl)ethanone (CID 114974685) is 2-cyclopropyl-1-(2-iodophenyl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(2-iodophenyl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(2-iodophenyl)ethanone is O=C(CC1CC1)c1ccccc1I.
What is the InChIKey of 2-cyclopropyl-1-(2-iodophenyl)ethanone?
The InChIKey is WIEVCEDWKVSGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO/c12-10-4-2-1-3-9(10)11(13)7-8-5-6-8/h1-4,8H,5-7H2.
What are the key properties of 2-cyclopropyl-1-(2-iodophenyl)ethanone?
2-cyclopropyl-1-(2-iodophenyl)ethanone has a molecular weight of 286.11 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-iodophenyl)ethanone is sourced from PubChem (CID 114974685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).