2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone

C13H15NO4 — CID 123676378

IUPAC2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]c(C)c(C(=O)C(O)OC)c2c1
InChIInChI=1S/C13H15NO4/c1-7-11(12(15)13(16)18-3)9-6-8(17-2)4-5-10(9)14-7/h4-6,13-14,16H,1-3H3
InChIKeyDEQYUTRTVNMKOZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.63
Rot. Bonds4

About 2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone

2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone (PubChem CID 123676378) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
PubChem CID123676378
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]c(C)c(C(=O)C(O)OC)c2c1
InChIInChI=1S/C13H15NO4/c1-7-11(12(15)13(16)18-3)9-6-8(17-2)4-5-10(9)14-7/h4-6,13-14,16H,1-3H3
InChIKeyDEQYUTRTVNMKOZ-UHFFFAOYSA-N
XLogP1.63
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone 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

1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 604823
methyl 5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 76852322
5-methoxy-2-methyl-1H-indole-3-carboxylate
CID 6919949
5-methoxy-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335449
2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoacetyl chloride
CID 11218944
2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 69315136
3-acetyl-6-methoxy-2-methyl-1H-quinolin-4-one
CID 139937848
[2-(5-methoxy-2-methyl-1H-indol-3-yl)-2-oxoethyl]-dimethylazanium
CID 3714980
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118
N-(1-aminopropan-2-yl)-5-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110833689
1-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279192
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone (CID 123676378) is 2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone is COc1ccc2[nH]c(C)c(C(=O)C(O)OC)c2c1.
What is the InChIKey of 2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is DEQYUTRTVNMKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-7-11(12(15)13(16)18-3)9-6-8(17-2)4-5-10(9)14-7/h4-6,13-14,16H,1-3H3.
What are the key properties of 2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone?
2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 249.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 123676378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).