1-cyclohexyl-3-iodobenzene

C12H15I — CID 155943278

IUPAC1-cyclohexyl-3-iodobenzene
SMILESIc1cccc(C2CCCCC2)c1
InChIInChI=1S/C12H15I/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2
InChIKeyCBCYLESMTQSDSF-UHFFFAOYSA-N
MW286.16 g/mol
LogP4.34
Rot. Bonds1

About 1-cyclohexyl-3-iodobenzene

1-cyclohexyl-3-iodobenzene (PubChem CID 155943278) has the molecular formula C12H15I and a molecular weight of 286.16 g/mol. Its IUPAC name is 1-cyclohexyl-3-iodobenzene.

Molecular Properties

Compound Name1-cyclohexyl-3-iodobenzene
PubChem CID155943278
Molecular FormulaC12H15I
Molecular Weight286.16 g/mol
Exact Mass286.02
IUPAC Name1-cyclohexyl-3-iodobenzene
SMILESIc1cccc(C2CCCCC2)c1
InChIInChI=1S/C12H15I/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2
InChIKeyCBCYLESMTQSDSF-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-iodobenzene?
The IUPAC name of 1-cyclohexyl-3-iodobenzene (CID 155943278) is 1-cyclohexyl-3-iodobenzene.
What is the SMILES notation for 1-cyclohexyl-3-iodobenzene?
The canonical SMILES for 1-cyclohexyl-3-iodobenzene is Ic1cccc(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-iodobenzene?
The InChIKey is CBCYLESMTQSDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15I/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2.
What are the key properties of 1-cyclohexyl-3-iodobenzene?
1-cyclohexyl-3-iodobenzene has a molecular weight of 286.16 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-iodobenzene is sourced from PubChem (CID 155943278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).