1-cyclopropyl-2-(4-iodophenyl)ethanone

C11H11IO — CID 65478499

IUPAC1-cyclopropyl-2-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(I)cc1)C1CC1
InChIInChI=1S/C11H11IO/c12-10-5-1-8(2-6-10)7-11(13)9-3-4-9/h1-2,5-6,9H,3-4,7H2
InChIKeySEQYWKKJLQKVIR-UHFFFAOYSA-N
MW286.11 g/mol
LogP2.81
Rot. Bonds3

About 1-cyclopropyl-2-(4-iodophenyl)ethanone

1-cyclopropyl-2-(4-iodophenyl)ethanone (PubChem CID 65478499) has the molecular formula C11H11IO and a molecular weight of 286.11 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-iodophenyl)ethanone
PubChem CID65478499
Molecular FormulaC11H11IO
Molecular Weight286.11 g/mol
Exact Mass285.99
IUPAC Name1-cyclopropyl-2-(4-iodophenyl)ethanone
SMILESO=C(Cc1ccc(I)cc1)C1CC1
InChIInChI=1S/C11H11IO/c12-10-5-1-8(2-6-10)7-11(13)9-3-4-9/h1-2,5-6,9H,3-4,7H2
InChIKeySEQYWKKJLQKVIR-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-2-(4-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

1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone
CID 116587269
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65476464
1-(1,1-dioxothiolan-3-yl)-2-(4-iodophenyl)ethanone
CID 115336298
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622
1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone
CID 116557390
1-(2-adamantyl)-2-(4-iodophenyl)ethanone
CID 114974203
2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114974200
2-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
CID 63527515
1-cyclopropyl-2-[4-(trifluoromethylsulfonyl)phenyl]ethanone
CID 63355492

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-iodophenyl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(4-iodophenyl)ethanone (CID 65478499) is 1-cyclopropyl-2-(4-iodophenyl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(4-iodophenyl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(4-iodophenyl)ethanone is O=C(Cc1ccc(I)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-iodophenyl)ethanone?
The InChIKey is SEQYWKKJLQKVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO/c12-10-5-1-8(2-6-10)7-11(13)9-3-4-9/h1-2,5-6,9H,3-4,7H2.
What are the key properties of 1-cyclopropyl-2-(4-iodophenyl)ethanone?
1-cyclopropyl-2-(4-iodophenyl)ethanone has a molecular weight of 286.11 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-iodophenyl)ethanone is sourced from PubChem (CID 65478499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).