1-(2-methyl-1H-indol-3-yl)-2-phenylethanone

C17H15NO — CID 15577659

IUPAC1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
SMILESCc1[nH]c2ccccc2c1C(=O)Cc1ccccc1
InChIInChI=1S/C17H15NO/c1-12-17(14-9-5-6-10-15(14)18-12)16(19)11-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3
InChIKeyIQUQCUNTWPJUPK-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.90
Rot. Bonds3

About 1-(2-methyl-1H-indol-3-yl)-2-phenylethanone

1-(2-methyl-1H-indol-3-yl)-2-phenylethanone (PubChem CID 15577659) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
PubChem CID15577659
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
SMILESCc1[nH]c2ccccc2c1C(=O)Cc1ccccc1
InChIInChI=1S/C17H15NO/c1-12-17(14-9-5-6-10-15(14)18-12)16(19)11-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3
InChIKeyIQUQCUNTWPJUPK-UHFFFAOYSA-N
XLogP3.90
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 62505096
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
3-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]propanoic acid
CID 98017040
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
CID 2689613
1-(2-methyl-1H-indol-3-yl)-2-pyrazin-2-ylethanone
CID 116832726
CID 170645728
CID 170645728
4-(methylamino)-1-(2-methyl-1H-indol-3-yl)butan-1-one
CID 116915904
2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide
CID 32579620
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]-2-phenylacetamide
CID 113085684

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-phenylethanone (CID 15577659) is 1-(2-methyl-1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-phenylethanone is Cc1[nH]c2ccccc2c1C(=O)Cc1ccccc1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-phenylethanone?
The InChIKey is IQUQCUNTWPJUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-12-17(14-9-5-6-10-15(14)18-12)16(19)11-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-phenylethanone?
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone has a molecular weight of 249.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 15577659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).