[1-(iodomethyl)cyclopentyl]benzene

C12H15I — CID 19966123

IUPAC[1-(iodomethyl)cyclopentyl]benzene
SMILESICC1(c2ccccc2)CCCC1
InChIInChI=1S/C12H15I/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyYHRMCELCRLYNGD-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.93
Rot. Bonds2

About [1-(iodomethyl)cyclopentyl]benzene

[1-(iodomethyl)cyclopentyl]benzene (PubChem CID 19966123) has the molecular formula C12H15I and a molecular weight of 286.16 g/mol. Its IUPAC name is [1-(iodomethyl)cyclopentyl]benzene.

Molecular Properties

Compound Name[1-(iodomethyl)cyclopentyl]benzene
PubChem CID19966123
Molecular FormulaC12H15I
Molecular Weight286.16 g/mol
Exact Mass286.02
IUPAC Name[1-(iodomethyl)cyclopentyl]benzene
SMILESICC1(c2ccccc2)CCCC1
InChIInChI=1S/C12H15I/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKeyYHRMCELCRLYNGD-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [1-(iodomethyl)cyclopentyl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(iodomethyl)cyclopentyl]benzene?
The IUPAC name of [1-(iodomethyl)cyclopentyl]benzene (CID 19966123) is [1-(iodomethyl)cyclopentyl]benzene.
What is the SMILES notation for [1-(iodomethyl)cyclopentyl]benzene?
The canonical SMILES for [1-(iodomethyl)cyclopentyl]benzene is ICC1(c2ccccc2)CCCC1.
What is the InChIKey of [1-(iodomethyl)cyclopentyl]benzene?
The InChIKey is YHRMCELCRLYNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15I/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2.
What are the key properties of [1-(iodomethyl)cyclopentyl]benzene?
[1-(iodomethyl)cyclopentyl]benzene has a molecular weight of 286.16 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(iodomethyl)cyclopentyl]benzene is sourced from PubChem (CID 19966123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).