1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone

C17H15NO — CID 588980

IUPAC1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H15NO/c1-12-5-4-6-13(9-12)10-17(19)15-11-18-16-8-3-2-7-14(15)16/h2-9,11,18H,10H2,1H3
InChIKeyZKLDGFWAOQJCAV-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.90
Rot. Bonds3

About 1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone

1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone (PubChem CID 588980) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
PubChem CID588980
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H15NO/c1-12-5-4-6-13(9-12)10-17(19)15-11-18-16-8-3-2-7-14(15)16/h2-9,11,18H,10H2,1H3
InChIKeyZKLDGFWAOQJCAV-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-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
CID 63490590
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993936
1-(1H-indol-3-yl)-3-(4-methylphenyl)propane-1,2-dione
CID 160732644
1-(6-chloro-1H-indol-3-yl)-2-(3-chlorophenyl)ethanone
CID 63492171
2-(4-chlorophenyl)-1-(5-methyl-1H-indol-3-yl)ethanone
CID 63555315
1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43341943
1-(6-amino-1H-indol-3-yl)-2-phenylethanone
CID 57257325
2-(2-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339237
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone (CID 588980) is 1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone?
The InChIKey is ZKLDGFWAOQJCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-12-5-4-6-13(9-12)10-17(19)15-11-18-16-8-3-2-7-14(15)16/h2-9,11,18H,10H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone?
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone 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-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 588980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).