[(3R,4R)-3-iodo-4-methylcyclopentyl]benzene

C12H15I — CID 89411404

IUPAC[(3R,4R)-3-iodo-4-methylcyclopentyl]benzene
SMILESC[C@@H]1CC(c2ccccc2)C[C@H]1I
InChIInChI=1S/C12H15I/c1-9-7-11(8-12(9)13)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11?,12-/m1/s1
InChIKeyIMFJRBRABDAHLY-WSXXKJPRSA-N
MW286.16 g/mol
LogP4.00
Rot. Bonds1

About [(3R,4R)-3-iodo-4-methylcyclopentyl]benzene

[(3R,4R)-3-iodo-4-methylcyclopentyl]benzene (PubChem CID 89411404) has the molecular formula C12H15I and a molecular weight of 286.16 g/mol. Its IUPAC name is [(3R,4R)-3-iodo-4-methylcyclopentyl]benzene.

Molecular Properties

Compound Name[(3R,4R)-3-iodo-4-methylcyclopentyl]benzene
PubChem CID89411404
Molecular FormulaC12H15I
Molecular Weight286.16 g/mol
Exact Mass286.02
IUPAC Name[(3R,4R)-3-iodo-4-methylcyclopentyl]benzene
SMILESC[C@@H]1CC(c2ccccc2)C[C@H]1I
InChIInChI=1S/C12H15I/c1-9-7-11(8-12(9)13)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11?,12-/m1/s1
InChIKeyIMFJRBRABDAHLY-WSXXKJPRSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 54.00
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'}

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-iodo-4-methylcyclopentyl]benzene?
The IUPAC name of [(3R,4R)-3-iodo-4-methylcyclopentyl]benzene (CID 89411404) is [(3R,4R)-3-iodo-4-methylcyclopentyl]benzene.
What is the SMILES notation for [(3R,4R)-3-iodo-4-methylcyclopentyl]benzene?
The canonical SMILES for [(3R,4R)-3-iodo-4-methylcyclopentyl]benzene is C[C@@H]1CC(c2ccccc2)C[C@H]1I.
What is the InChIKey of [(3R,4R)-3-iodo-4-methylcyclopentyl]benzene?
The InChIKey is IMFJRBRABDAHLY-WSXXKJPRSA-N. The full InChI is InChI=1S/C12H15I/c1-9-7-11(8-12(9)13)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11?,12-/m1/s1.
What are the key properties of [(3R,4R)-3-iodo-4-methylcyclopentyl]benzene?
[(3R,4R)-3-iodo-4-methylcyclopentyl]benzene has a molecular weight of 286.16 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-iodo-4-methylcyclopentyl]benzene is sourced from PubChem (CID 89411404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).