1-cyclopentyl-2-(3-iodophenyl)ethanone

C13H15IO — CID 158596925

IUPAC1-cyclopentyl-2-(3-iodophenyl)ethanone
SMILESO=C(Cc1cccc(I)c1)C1CCCC1
InChIInChI=1S/C13H15IO/c14-12-7-3-4-10(8-12)9-13(15)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2
InChIKeyVWERHGIVENKQEX-UHFFFAOYSA-N
MW314.17 g/mol
LogP3.59
Rot. Bonds3

About 1-cyclopentyl-2-(3-iodophenyl)ethanone

1-cyclopentyl-2-(3-iodophenyl)ethanone (PubChem CID 158596925) has the molecular formula C13H15IO and a molecular weight of 314.17 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3-iodophenyl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(3-iodophenyl)ethanone
PubChem CID158596925
Molecular FormulaC13H15IO
Molecular Weight314.17 g/mol
Exact Mass314.02
IUPAC Name1-cyclopentyl-2-(3-iodophenyl)ethanone
SMILESO=C(Cc1cccc(I)c1)C1CCCC1
InChIInChI=1S/C13H15IO/c14-12-7-3-4-10(8-12)9-13(15)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2
InChIKeyVWERHGIVENKQEX-UHFFFAOYSA-N
XLogP3.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-2-(3-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-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
1-cyclohexyl-2-[3-(trifluoromethyl)phenyl]ethanone
CID 55095836
1-cyclooctyl-2-naphthalen-2-ylethanone
CID 65018574
1-cyclopropyl-2-(4-iodophenyl)ethanone
CID 65478499
3-(3-iodophenyl)-2-oxopropanoic acid
CID 127018945
N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide
CID 119475463
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride
CID 119435228
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
1-cyclobutyl-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64982201
1-cyclopropyl-2-(3-nitrophenyl)ethanone
CID 147564014
2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97077481
2-(4-aminophenyl)-1-cyclohexylethanone
CID 116549419

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3-iodophenyl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(3-iodophenyl)ethanone (CID 158596925) is 1-cyclopentyl-2-(3-iodophenyl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(3-iodophenyl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(3-iodophenyl)ethanone is O=C(Cc1cccc(I)c1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3-iodophenyl)ethanone?
The InChIKey is VWERHGIVENKQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IO/c14-12-7-3-4-10(8-12)9-13(15)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9H2.
What are the key properties of 1-cyclopentyl-2-(3-iodophenyl)ethanone?
1-cyclopentyl-2-(3-iodophenyl)ethanone has a molecular weight of 314.17 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3-iodophenyl)ethanone is sourced from PubChem (CID 158596925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).