4-chloro-2-cyclobutyl-5-methoxy-1H-indole

C13H14ClNO — CID 84699119

IUPAC4-chloro-2-cyclobutyl-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c(C3CCC3)cc2c1Cl
InChIInChI=1S/C13H14ClNO/c1-16-12-6-5-10-9(13(12)14)7-11(15-10)8-3-2-4-8/h5-8,15H,2-4H2,1H3
InChIKeyRUJKEZBVXSZEHU-UHFFFAOYSA-N
MW235.71 g/mol
LogP4.10
Rot. Bonds2

About 4-chloro-2-cyclobutyl-5-methoxy-1H-indole

4-chloro-2-cyclobutyl-5-methoxy-1H-indole (PubChem CID 84699119) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 4-chloro-2-cyclobutyl-5-methoxy-1H-indole.

Molecular Properties

Compound Name4-chloro-2-cyclobutyl-5-methoxy-1H-indole
PubChem CID84699119
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name4-chloro-2-cyclobutyl-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c(C3CCC3)cc2c1Cl
InChIInChI=1S/C13H14ClNO/c1-16-12-6-5-10-9(13(12)14)7-11(15-10)8-3-2-4-8/h5-8,15H,2-4H2,1H3
InChIKeyRUJKEZBVXSZEHU-UHFFFAOYSA-N
XLogP4.10
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2-cyclobutyl-5-methoxy-1H-indole with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclobutyl-5-methoxy-1H-indole
CID 84670139
1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone
CID 131380189
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
2-cyclohexyl-5-fluoro-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;methane
CID 170620327
2-chloro-4-cyclobutyloxy-1-methoxybenzene
CID 130057041
4-chloro-2-cyclohexyl-1-methoxybenzene
CID 71228183
4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine
CID 84802229
6-[(4-chloro-2-methyl-1H-indol-5-yl)oxy]-N-(5-cyclobutyl-1H-pyrazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 90147326
2-cyclopropyl-6-methoxy-1H-indole
CID 69186205
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
3-chloro-4-methoxybenzene-1,2-diamine
CID 122129593

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclobutyl-5-methoxy-1H-indole?
The IUPAC name of 4-chloro-2-cyclobutyl-5-methoxy-1H-indole (CID 84699119) is 4-chloro-2-cyclobutyl-5-methoxy-1H-indole.
What is the SMILES notation for 4-chloro-2-cyclobutyl-5-methoxy-1H-indole?
The canonical SMILES for 4-chloro-2-cyclobutyl-5-methoxy-1H-indole is COc1ccc2[nH]c(C3CCC3)cc2c1Cl.
What is the InChIKey of 4-chloro-2-cyclobutyl-5-methoxy-1H-indole?
The InChIKey is RUJKEZBVXSZEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-16-12-6-5-10-9(13(12)14)7-11(15-10)8-3-2-4-8/h5-8,15H,2-4H2,1H3.
What are the key properties of 4-chloro-2-cyclobutyl-5-methoxy-1H-indole?
4-chloro-2-cyclobutyl-5-methoxy-1H-indole has a molecular weight of 235.71 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclobutyl-5-methoxy-1H-indole is sourced from PubChem (CID 84699119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).