3-[2-(methoxymethoxy)ethyl]-1H-indole

C12H15NO2 — CID 15147146

IUPAC3-[2-(methoxymethoxy)ethyl]-1H-indole
SMILESCOCOCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H15NO2/c1-14-9-15-7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7,9H2,1H3
InChIKeyLVIRQOPHWFOWMM-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.33
Rot. Bonds5

About 3-[2-(methoxymethoxy)ethyl]-1H-indole

3-[2-(methoxymethoxy)ethyl]-1H-indole (PubChem CID 15147146) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[2-(methoxymethoxy)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-(methoxymethoxy)ethyl]-1H-indole
PubChem CID15147146
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-[2-(methoxymethoxy)ethyl]-1H-indole
SMILESCOCOCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H15NO2/c1-14-9-15-7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7,9H2,1H3
InChIKeyLVIRQOPHWFOWMM-UHFFFAOYSA-N
XLogP2.33
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(E)-prop-1-enoxy]ethyl]-1H-indole
CID 102132135
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2-(1H-indol-3-yl)ethanamine;methyl hypoiodite
CID 143451156
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375
3-[2-(piperidin-4-ylmethoxy)ethyl]-1H-indole
CID 44784869
hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium
CID 165088178
3-heptyl-1H-indole
CID 15360907
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
N-[2-(1H-indol-3-yl)ethyl]-N-methoxypropan-1-amine
CID 175843583
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 75535407
N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethoxy)ethyl]-1H-indole?
The IUPAC name of 3-[2-(methoxymethoxy)ethyl]-1H-indole (CID 15147146) is 3-[2-(methoxymethoxy)ethyl]-1H-indole.
What is the SMILES notation for 3-[2-(methoxymethoxy)ethyl]-1H-indole?
The canonical SMILES for 3-[2-(methoxymethoxy)ethyl]-1H-indole is COCOCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(methoxymethoxy)ethyl]-1H-indole?
The InChIKey is LVIRQOPHWFOWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-14-9-15-7-6-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7,9H2,1H3.
What are the key properties of 3-[2-(methoxymethoxy)ethyl]-1H-indole?
3-[2-(methoxymethoxy)ethyl]-1H-indole has a molecular weight of 205.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethoxy)ethyl]-1H-indole is sourced from PubChem (CID 15147146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).