3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole

C18H24ClN — CID 106985287

IUPAC3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole
SMILESCC(C)(C)C1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C18H24ClN/c1-18(2,3)13-6-4-12(5-7-13)16-11-20-17-9-8-14(19)10-15(16)17/h8-13,20H,4-7H2,1-3H3
InChIKeyGEFOTGCXCPEKNP-UHFFFAOYSA-N
MW289.85 g/mol
LogP6.14
Rot. Bonds1

About 3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole

3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole (PubChem CID 106985287) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is 3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole.

Molecular Properties

Compound Name3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole
PubChem CID106985287
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC Name3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole
SMILESCC(C)(C)C1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C18H24ClN/c1-18(2,3)13-6-4-12(5-7-13)16-11-20-17-9-8-14(19)10-15(16)17/h8-13,20H,4-7H2,1-3H3
InChIKeyGEFOTGCXCPEKNP-UHFFFAOYSA-N
XLogP6.14
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.85
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole?
The IUPAC name of 3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole (CID 106985287) is 3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole.
What is the SMILES notation for 3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole?
The canonical SMILES for 3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole is CC(C)(C)C1CCC(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole?
The InChIKey is GEFOTGCXCPEKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN/c1-18(2,3)13-6-4-12(5-7-13)16-11-20-17-9-8-14(19)10-15(16)17/h8-13,20H,4-7H2,1-3H3.
What are the key properties of 3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole?
3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole has a molecular weight of 289.85 g/mol, XLogP of 6.14, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylcyclohexyl)-5-chloro-1H-indole is sourced from PubChem (CID 106985287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).