1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole

C17H25NO3 — CID 80649265

IUPAC1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole
SMILESCCOC(Cn1ccc2cc(OC(C)C)ccc21)OCC
InChIInChI=1S/C17H25NO3/c1-5-19-17(20-6-2)12-18-10-9-14-11-15(21-13(3)4)7-8-16(14)18/h7-11,13,17H,5-6,12H2,1-4H3
InChIKeyYIRGSYIDTACNIU-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.83
Rot. Bonds8

About 1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole

1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole (PubChem CID 80649265) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole
PubChem CID80649265
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole
SMILESCCOC(Cn1ccc2cc(OC(C)C)ccc21)OCC
InChIInChI=1S/C17H25NO3/c1-5-19-17(20-6-2)12-18-10-9-14-11-15(21-13(3)4)7-8-16(14)18/h7-11,13,17H,5-6,12H2,1-4H3
InChIKeyYIRGSYIDTACNIU-UHFFFAOYSA-N
XLogP3.83
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole?
The IUPAC name of 1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole (CID 80649265) is 1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole?
The canonical SMILES for 1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole is CCOC(Cn1ccc2cc(OC(C)C)ccc21)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole?
The InChIKey is YIRGSYIDTACNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-19-17(20-6-2)12-18-10-9-14-11-15(21-13(3)4)7-8-16(14)18/h7-11,13,17H,5-6,12H2,1-4H3.
What are the key properties of 1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole?
1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole has a molecular weight of 291.39 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole is sourced from PubChem (CID 80649265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).