7-chloro-1-(4-methoxybutyl)indole

C13H16ClNO — CID 103475434

IUPAC7-chloro-1-(4-methoxybutyl)indole
SMILESCOCCCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C13H16ClNO/c1-16-10-3-2-8-15-9-7-11-5-4-6-12(14)13(11)15/h4-7,9H,2-3,8,10H2,1H3
InChIKeyAKKYFDPGBFIKNK-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.72
Rot. Bonds5

About 7-chloro-1-(4-methoxybutyl)indole

7-chloro-1-(4-methoxybutyl)indole (PubChem CID 103475434) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 7-chloro-1-(4-methoxybutyl)indole.

Molecular Properties

Compound Name7-chloro-1-(4-methoxybutyl)indole
PubChem CID103475434
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name7-chloro-1-(4-methoxybutyl)indole
SMILESCOCCCCn1ccc2cccc(Cl)c21
InChIInChI=1S/C13H16ClNO/c1-16-10-3-2-8-15-9-7-11-5-4-6-12(14)13(11)15/h4-7,9H,2-3,8,10H2,1H3
InChIKeyAKKYFDPGBFIKNK-UHFFFAOYSA-N
XLogP3.72
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-chloro-1-(4-methoxybutyl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-methoxybutyl)indole?
The IUPAC name of 7-chloro-1-(4-methoxybutyl)indole (CID 103475434) is 7-chloro-1-(4-methoxybutyl)indole.
What is the SMILES notation for 7-chloro-1-(4-methoxybutyl)indole?
The canonical SMILES for 7-chloro-1-(4-methoxybutyl)indole is COCCCCn1ccc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-(4-methoxybutyl)indole?
The InChIKey is AKKYFDPGBFIKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-16-10-3-2-8-15-9-7-11-5-4-6-12(14)13(11)15/h4-7,9H,2-3,8,10H2,1H3.
What are the key properties of 7-chloro-1-(4-methoxybutyl)indole?
7-chloro-1-(4-methoxybutyl)indole has a molecular weight of 237.73 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-methoxybutyl)indole is sourced from PubChem (CID 103475434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).