3-(2,2-diethoxyethyl)-1-methoxyindole

C15H21NO3 — CID 57163335

IUPAC3-(2,2-diethoxyethyl)-1-methoxyindole
SMILESCCOC(Cc1cn(OC)c2ccccc12)OCC
InChIInChI=1S/C15H21NO3/c1-4-18-15(19-5-2)10-12-11-16(17-3)14-9-7-6-8-13(12)14/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyGYZVZFRSODGENM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.64
Rot. Bonds7

About 3-(2,2-diethoxyethyl)-1-methoxyindole

3-(2,2-diethoxyethyl)-1-methoxyindole (PubChem CID 57163335) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(2,2-diethoxyethyl)-1-methoxyindole.

Molecular Properties

Compound Name3-(2,2-diethoxyethyl)-1-methoxyindole
PubChem CID57163335
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(2,2-diethoxyethyl)-1-methoxyindole
SMILESCCOC(Cc1cn(OC)c2ccccc12)OCC
InChIInChI=1S/C15H21NO3/c1-4-18-15(19-5-2)10-12-11-16(17-3)14-9-7-6-8-13(12)14/h6-9,11,15H,4-5,10H2,1-3H3
InChIKeyGYZVZFRSODGENM-UHFFFAOYSA-N
XLogP2.64
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.64
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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Related Compounds

1-(2,2-diethoxyethyl)naphthalene
CID 146004800
methyl 4-(1-methoxyindol-3-yl)-2-methylbutanoate
CID 70426707
(1-ethoxyindol-3-yl)methanol
CID 10219760
3-(2,2-diethoxyethyl)-1H-indole
CID 13270992
2-hydroxy-N-[2-(1-methoxyindol-3-yl)ethyl]acetamide
CID 69330952
N-(2-bromophenyl)-2-(1-methoxyindol-3-yl)acetamide
CID 141490301
2-(1-methoxyindol-3-yl)-N-pyridin-2-ylacetamide
CID 141490268
methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate
CID 155925304
(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1-methoxyindol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]piperidine-2-carboxamide
CID 71097996
(2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol
CID 101225174
2-(1-methoxyindol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 141490312
1-(2,2-diethoxyethyl)quinolin-4-one
CID 63628929

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diethoxyethyl)-1-methoxyindole?
The IUPAC name of 3-(2,2-diethoxyethyl)-1-methoxyindole (CID 57163335) is 3-(2,2-diethoxyethyl)-1-methoxyindole.
What is the SMILES notation for 3-(2,2-diethoxyethyl)-1-methoxyindole?
The canonical SMILES for 3-(2,2-diethoxyethyl)-1-methoxyindole is CCOC(Cc1cn(OC)c2ccccc12)OCC.
What is the InChIKey of 3-(2,2-diethoxyethyl)-1-methoxyindole?
The InChIKey is GYZVZFRSODGENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-18-15(19-5-2)10-12-11-16(17-3)14-9-7-6-8-13(12)14/h6-9,11,15H,4-5,10H2,1-3H3.
What are the key properties of 3-(2,2-diethoxyethyl)-1-methoxyindole?
3-(2,2-diethoxyethyl)-1-methoxyindole has a molecular weight of 263.34 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diethoxyethyl)-1-methoxyindole is sourced from PubChem (CID 57163335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).