1-(1,4-dimethylcyclohexyl)-2-iodobenzene

C14H19I — CID 143197628

IUPAC1-(1,4-dimethylcyclohexyl)-2-iodobenzene
SMILESCC1CCC(C)(c2ccccc2I)CC1
InChIInChI=1S/C14H19I/c1-11-7-9-14(2,10-8-11)12-5-3-4-6-13(12)15/h3-6,11H,7-10H2,1-2H3
InChIKeyBZLJJGUCRWLVGK-UHFFFAOYSA-N
MW314.21 g/mol
LogP4.76
Rot. Bonds1

About 1-(1,4-dimethylcyclohexyl)-2-iodobenzene

1-(1,4-dimethylcyclohexyl)-2-iodobenzene (PubChem CID 143197628) has the molecular formula C14H19I and a molecular weight of 314.21 g/mol. Its IUPAC name is 1-(1,4-dimethylcyclohexyl)-2-iodobenzene.

Molecular Properties

Compound Name1-(1,4-dimethylcyclohexyl)-2-iodobenzene
PubChem CID143197628
Molecular FormulaC14H19I
Molecular Weight314.21 g/mol
Exact Mass314.05
IUPAC Name1-(1,4-dimethylcyclohexyl)-2-iodobenzene
SMILESCC1CCC(C)(c2ccccc2I)CC1
InChIInChI=1S/C14H19I/c1-11-7-9-14(2,10-8-11)12-5-3-4-6-13(12)15/h3-6,11H,7-10H2,1-2H3
InChIKeyBZLJJGUCRWLVGK-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylcyclohexyl)-2-iodobenzene?
The IUPAC name of 1-(1,4-dimethylcyclohexyl)-2-iodobenzene (CID 143197628) is 1-(1,4-dimethylcyclohexyl)-2-iodobenzene.
What is the SMILES notation for 1-(1,4-dimethylcyclohexyl)-2-iodobenzene?
The canonical SMILES for 1-(1,4-dimethylcyclohexyl)-2-iodobenzene is CC1CCC(C)(c2ccccc2I)CC1.
What is the InChIKey of 1-(1,4-dimethylcyclohexyl)-2-iodobenzene?
The InChIKey is BZLJJGUCRWLVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19I/c1-11-7-9-14(2,10-8-11)12-5-3-4-6-13(12)15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(1,4-dimethylcyclohexyl)-2-iodobenzene?
1-(1,4-dimethylcyclohexyl)-2-iodobenzene has a molecular weight of 314.21 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylcyclohexyl)-2-iodobenzene is sourced from PubChem (CID 143197628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).