2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one

C14H16BrNO2 — CID 69315136

IUPAC2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
SMILESCOc1ccc2[nH]c(C)c(C(=O)C(C)(C)Br)c2c1
InChIInChI=1S/C14H16BrNO2/c1-8-12(13(17)14(2,3)15)10-7-9(18-4)5-6-11(10)16-8/h5-7,16H,1-4H3
InChIKeyGVQVRKVHEGAKAE-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.84
Rot. Bonds3

About 2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one

2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one (PubChem CID 69315136) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
PubChem CID69315136
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
SMILESCOc1ccc2[nH]c(C)c(C(=O)C(C)(C)Br)c2c1
InChIInChI=1S/C14H16BrNO2/c1-8-12(13(17)14(2,3)15)10-7-9(18-4)5-6-11(10)16-8/h5-7,16H,1-4H3
InChIKeyGVQVRKVHEGAKAE-UHFFFAOYSA-N
XLogP3.84
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one 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-hydroxy-2-methoxy-1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 123676378
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-ethyl-5-methoxy-2-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
CID 84591480
N-(1-aminopropan-2-yl)-5-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110833689
1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone;hydroiodide
CID 44655353

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
The IUPAC name of 2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one (CID 69315136) is 2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one is COc1ccc2[nH]c(C)c(C(=O)C(C)(C)Br)c2c1.
What is the InChIKey of 2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
The InChIKey is GVQVRKVHEGAKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-8-12(13(17)14(2,3)15)10-7-9(18-4)5-6-11(10)16-8/h5-7,16H,1-4H3.
What are the key properties of 2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one?
2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one has a molecular weight of 310.19 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 69315136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).