7-chloro-1-decylindole

C18H26ClN — CID 103474775

IUPAC7-chloro-1-decylindole
SMILESCCCCCCCCCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C18H26ClN/c1-2-3-4-5-6-7-8-9-14-20-15-13-16-11-10-12-17(19)18(16)20/h10-13,15H,2-9,14H2,1H3
InChIKeyUTWZPOPJCHWRJM-UHFFFAOYSA-N
MW291.87 g/mol
LogP6.44
Rot. Bonds9

About 7-chloro-1-decylindole

7-chloro-1-decylindole (PubChem CID 103474775) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is 7-chloro-1-decylindole.

Molecular Properties

Compound Name7-chloro-1-decylindole
PubChem CID103474775
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC Name7-chloro-1-decylindole
SMILESCCCCCCCCCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C18H26ClN/c1-2-3-4-5-6-7-8-9-14-20-15-13-16-11-10-12-17(19)18(16)20/h10-13,15H,2-9,14H2,1H3
InChIKeyUTWZPOPJCHWRJM-UHFFFAOYSA-N
XLogP6.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.87
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-decylindole?
The IUPAC name of 7-chloro-1-decylindole (CID 103474775) is 7-chloro-1-decylindole.
What is the SMILES notation for 7-chloro-1-decylindole?
The canonical SMILES for 7-chloro-1-decylindole is CCCCCCCCCCn1ccc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-decylindole?
The InChIKey is UTWZPOPJCHWRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN/c1-2-3-4-5-6-7-8-9-14-20-15-13-16-11-10-12-17(19)18(16)20/h10-13,15H,2-9,14H2,1H3.
What are the key properties of 7-chloro-1-decylindole?
7-chloro-1-decylindole has a molecular weight of 291.87 g/mol, XLogP of 6.44, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-decylindole is sourced from PubChem (CID 103474775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).