3-(2-butoxyethoxymethyl)-1H-indole

C15H21NO2 — CID 170026561

IUPAC3-(2-butoxyethoxymethyl)-1H-indole
SMILESCCCCOCCOCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21NO2/c1-2-3-8-17-9-10-18-12-13-11-16-15-7-5-4-6-14(13)15/h4-7,11,16H,2-3,8-10,12H2,1H3
InChIKeyDHHOKYAKAPSLLI-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.50
Rot. Bonds8

About 3-(2-butoxyethoxymethyl)-1H-indole

3-(2-butoxyethoxymethyl)-1H-indole (PubChem CID 170026561) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(2-butoxyethoxymethyl)-1H-indole.

Molecular Properties

Compound Name3-(2-butoxyethoxymethyl)-1H-indole
PubChem CID170026561
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(2-butoxyethoxymethyl)-1H-indole
SMILESCCCCOCCOCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21NO2/c1-2-3-8-17-9-10-18-12-13-11-16-15-7-5-4-6-14(13)15/h4-7,11,16H,2-3,8-10,12H2,1H3
InChIKeyDHHOKYAKAPSLLI-UHFFFAOYSA-N
XLogP3.50
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(octacosoxymethyl)-1H-indole
CID 11512197
2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine
CID 62325957
2-(1H-indol-3-ylmethoxy)ethanol;molecular hydrogen;propane
CID 171659157
ethane;3-(2-propan-2-yloxyethoxymethyl)-1H-indole
CID 162382666
3-heptyl-1H-indole
CID 15360907
N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
3-(2,2-dimethylhexyl)-1H-indole
CID 70819800
1-(hexoxymethyl)naphthalene
CID 18427527
3-ethyl-1H-indole;methanamine
CID 142222050
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
pentyl 3-(1H-indol-3-yl)propanoate
CID 70811312
1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62455461

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxymethyl)-1H-indole?
The IUPAC name of 3-(2-butoxyethoxymethyl)-1H-indole (CID 170026561) is 3-(2-butoxyethoxymethyl)-1H-indole.
What is the SMILES notation for 3-(2-butoxyethoxymethyl)-1H-indole?
The canonical SMILES for 3-(2-butoxyethoxymethyl)-1H-indole is CCCCOCCOCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(2-butoxyethoxymethyl)-1H-indole?
The InChIKey is DHHOKYAKAPSLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-8-17-9-10-18-12-13-11-16-15-7-5-4-6-14(13)15/h4-7,11,16H,2-3,8-10,12H2,1H3.
What are the key properties of 3-(2-butoxyethoxymethyl)-1H-indole?
3-(2-butoxyethoxymethyl)-1H-indole has a molecular weight of 247.34 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxymethyl)-1H-indole is sourced from PubChem (CID 170026561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).