1-(4-ethylcyclohexyl)oxy-2-iodobenzene

C14H19IO — CID 64747905

IUPAC1-(4-ethylcyclohexyl)oxy-2-iodobenzene
SMILESCCC1CCC(Oc2ccccc2I)CC1
InChIInChI=1S/C14H19IO/c1-2-11-7-9-12(10-8-11)16-14-6-4-3-5-13(14)15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyYLJRCVNGLLAIMS-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.64
Rot. Bonds3

About 1-(4-ethylcyclohexyl)oxy-2-iodobenzene

1-(4-ethylcyclohexyl)oxy-2-iodobenzene (PubChem CID 64747905) has the molecular formula C14H19IO and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)oxy-2-iodobenzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)oxy-2-iodobenzene
PubChem CID64747905
Molecular FormulaC14H19IO
Molecular Weight330.21 g/mol
Exact Mass330.05
IUPAC Name1-(4-ethylcyclohexyl)oxy-2-iodobenzene
SMILESCCC1CCC(Oc2ccccc2I)CC1
InChIInChI=1S/C14H19IO/c1-2-11-7-9-12(10-8-11)16-14-6-4-3-5-13(14)15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyYLJRCVNGLLAIMS-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-ethylcyclohexyl)oxy-2-iodobenzene?
The IUPAC name of 1-(4-ethylcyclohexyl)oxy-2-iodobenzene (CID 64747905) is 1-(4-ethylcyclohexyl)oxy-2-iodobenzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)oxy-2-iodobenzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)oxy-2-iodobenzene is CCC1CCC(Oc2ccccc2I)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)oxy-2-iodobenzene?
The InChIKey is YLJRCVNGLLAIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IO/c1-2-11-7-9-12(10-8-11)16-14-6-4-3-5-13(14)15/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)oxy-2-iodobenzene?
1-(4-ethylcyclohexyl)oxy-2-iodobenzene has a molecular weight of 330.21 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)oxy-2-iodobenzene is sourced from PubChem (CID 64747905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).