2-cyclohexyl-1-ethyl-3-iodobenzene

C14H19I — CID 175261690

IUPAC2-cyclohexyl-1-ethyl-3-iodobenzene
SMILESCCc1cccc(I)c1C1CCCCC1
InChIInChI=1S/C14H19I/c1-2-11-9-6-10-13(15)14(11)12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8H2,1H3
InChIKeyXGJOVCILFPSQAC-UHFFFAOYSA-N
MW314.21 g/mol
LogP4.90
Rot. Bonds2

About 2-cyclohexyl-1-ethyl-3-iodobenzene

2-cyclohexyl-1-ethyl-3-iodobenzene (PubChem CID 175261690) has the molecular formula C14H19I and a molecular weight of 314.21 g/mol. Its IUPAC name is 2-cyclohexyl-1-ethyl-3-iodobenzene.

Molecular Properties

Compound Name2-cyclohexyl-1-ethyl-3-iodobenzene
PubChem CID175261690
Molecular FormulaC14H19I
Molecular Weight314.21 g/mol
Exact Mass314.05
IUPAC Name2-cyclohexyl-1-ethyl-3-iodobenzene
SMILESCCc1cccc(I)c1C1CCCCC1
InChIInChI=1S/C14H19I/c1-2-11-9-6-10-13(15)14(11)12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8H2,1H3
InChIKeyXGJOVCILFPSQAC-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.90
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

(2-cyclohexyl-3-ethylphenyl) formate
CID 173400153
3-cyclohexyl-4-ethylbenzene-1,2-diol
CID 154435911
1,3-diethyl-2-iodobenzene
CID 18690512
1-cyclohexyl-3-ethyl-2-methoxybenzene
CID 70191110
methyl 2-cyclobutyl-3-iodobenzoate
CID 175864444
(2-cyclohexyl-3-propylphenyl)boronic acid
CID 54116276
1-chloro-2-cyclohexyl-3-(cyclopropylmethyl)benzene
CID 154637847
2-cyclohexyl-7-ethyl-1H-indole-3-carbaldehyde
CID 3764850
2-cyclohexyl-1-isocyanato-3-pentylbenzene
CID 129206524
2-tert-butyl-1-ethyl-3-iodobenzene
CID 146636701
1,2-diethylbenzene;1,2-diethylcyclohexane;ethane
CID 158142354
ethyl 2-(2-cyclopentyl-3-methoxyphenyl)acetate
CID 142671917

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-ethyl-3-iodobenzene?
The IUPAC name of 2-cyclohexyl-1-ethyl-3-iodobenzene (CID 175261690) is 2-cyclohexyl-1-ethyl-3-iodobenzene.
What is the SMILES notation for 2-cyclohexyl-1-ethyl-3-iodobenzene?
The canonical SMILES for 2-cyclohexyl-1-ethyl-3-iodobenzene is CCc1cccc(I)c1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-ethyl-3-iodobenzene?
The InChIKey is XGJOVCILFPSQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19I/c1-2-11-9-6-10-13(15)14(11)12-7-4-3-5-8-12/h6,9-10,12H,2-5,7-8H2,1H3.
What are the key properties of 2-cyclohexyl-1-ethyl-3-iodobenzene?
2-cyclohexyl-1-ethyl-3-iodobenzene has a molecular weight of 314.21 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-ethyl-3-iodobenzene is sourced from PubChem (CID 175261690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).