2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone

C14H17IO — CID 65476464

IUPAC2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
SMILESCC1CCC(C(=O)Cc2ccc(I)cc2)C1
InChIInChI=1S/C14H17IO/c1-10-2-5-12(8-10)14(16)9-11-3-6-13(15)7-4-11/h3-4,6-7,10,12H,2,5,8-9H2,1H3
InChIKeyMUZWJHHHXSAQHU-UHFFFAOYSA-N
MW328.19 g/mol
LogP3.84
Rot. Bonds3

About 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone

2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone (PubChem CID 65476464) has the molecular formula C14H17IO and a molecular weight of 328.19 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
PubChem CID65476464
Molecular FormulaC14H17IO
Molecular Weight328.19 g/mol
Exact Mass328.03
IUPAC Name2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
SMILESCC1CCC(C(=O)Cc2ccc(I)cc2)C1
InChIInChI=1S/C14H17IO/c1-10-2-5-12(8-10)14(16)9-11-3-6-13(15)7-4-11/h3-4,6-7,10,12H,2,5,8-9H2,1H3
InChIKeyMUZWJHHHXSAQHU-UHFFFAOYSA-N
XLogP3.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-2-(4-iodophenyl)ethanone
CID 65478499
1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone
CID 116587269
2-(4-ethylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409929
2-(furan-3-yl)-1-(3-methylcyclopentyl)ethanone
CID 83171833
2-(4-tert-butylphenyl)-1-(3-methylcyclohexyl)ethanone
CID 63409366
[4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone
CID 142053699
2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114974200
1-(1,1-dioxothiolan-3-yl)-2-(4-iodophenyl)ethanone
CID 115336298
1-(2-adamantyl)-2-(4-iodophenyl)ethanone
CID 114974203
1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone
CID 103450918
1-(3-methylcyclopentyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642357
2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402969

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone?
The IUPAC name of 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone (CID 65476464) is 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone.
What is the SMILES notation for 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone?
The canonical SMILES for 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone is CC1CCC(C(=O)Cc2ccc(I)cc2)C1.
What is the InChIKey of 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone?
The InChIKey is MUZWJHHHXSAQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IO/c1-10-2-5-12(8-10)14(16)9-11-3-6-13(15)7-4-11/h3-4,6-7,10,12H,2,5,8-9H2,1H3.
What are the key properties of 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone?
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone has a molecular weight of 328.19 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone is sourced from PubChem (CID 65476464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).