1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene

C18H27I — CID 139711194

IUPAC1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene
SMILESCCCC1CCC(C(C)Cc2ccc(I)cc2)CC1
InChIInChI=1S/C18H27I/c1-3-4-15-5-9-17(10-6-15)14(2)13-16-7-11-18(19)12-8-16/h7-8,11-12,14-15,17H,3-6,9-10,13H2,1-2H3
InChIKeyDIOBTSTYJQLXIB-UHFFFAOYSA-N
MW370.32 g/mol
LogP6.08
Rot. Bonds5

About 1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene

1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene (PubChem CID 139711194) has the molecular formula C18H27I and a molecular weight of 370.32 g/mol. Its IUPAC name is 1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene.

Molecular Properties

Compound Name1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene
PubChem CID139711194
Molecular FormulaC18H27I
Molecular Weight370.32 g/mol
Exact Mass370.12
IUPAC Name1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene
SMILESCCCC1CCC(C(C)Cc2ccc(I)cc2)CC1
InChIInChI=1S/C18H27I/c1-3-4-15-5-9-17(10-6-15)14(2)13-16-7-11-18(19)12-8-16/h7-8,11-12,14-15,17H,3-6,9-10,13H2,1-2H3
InChIKeyDIOBTSTYJQLXIB-UHFFFAOYSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.32
LogP ≤ 56.08
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

1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 139691879
1-[2-(4-butylcyclohexyl)propyl]-4-ethoxybenzene
CID 139691896
1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene
CID 139708634
3-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]butan-2-ylbenzene;2-[4-[1-(4-propylcyclohexyl)ethyl]cyclohexyl]propylbenzene
CID 173405943
1-ethyl-4-[2-[4-[2-(4-ethylcyclohexyl)propyl]phenyl]ethynyl]benzene
CID 139708718
1-[2-(4-butylcyclohexyl)propyl]-4-[2-(4-propylphenyl)ethynyl]benzene
CID 139708871
4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzonitrile
CID 139708880
4-[4-[2-(4-butylcyclohexyl)propyl]phenyl]-1,2-difluorobenzene
CID 139708761
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 67697847
N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65479388
1-[2-(4-ethylcyclohexyl)propyl]-4-[2-(4-fluorophenyl)ethynyl]benzene
CID 139708986
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)propyl]phenyl]benzene
CID 139708846

Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene?
The IUPAC name of 1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene (CID 139711194) is 1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene.
What is the SMILES notation for 1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene?
The canonical SMILES for 1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene is CCCC1CCC(C(C)Cc2ccc(I)cc2)CC1.
What is the InChIKey of 1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene?
The InChIKey is DIOBTSTYJQLXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27I/c1-3-4-15-5-9-17(10-6-15)14(2)13-16-7-11-18(19)12-8-16/h7-8,11-12,14-15,17H,3-6,9-10,13H2,1-2H3.
What are the key properties of 1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene?
1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene has a molecular weight of 370.32 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-[2-(4-propylcyclohexyl)propyl]benzene is sourced from PubChem (CID 139711194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).