1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone

C18H19NO2 — CID 116594701

IUPAC1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1CNc2ccccc21
InChIInChI=1S/C18H19NO2/c1-12-7-8-18(21-2)13(9-12)10-17(20)15-11-19-16-6-4-3-5-14(15)16/h3-9,15,19H,10-11H2,1-2H3
InChIKeyHHPJZDMJXODOFI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.32
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone

1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone (PubChem CID 116594701) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
PubChem CID116594701
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1CNc2ccccc21
InChIInChI=1S/C18H19NO2/c1-12-7-8-18(21-2)13(9-12)10-17(20)15-11-19-16-6-4-3-5-14(15)16/h3-9,15,19H,10-11H2,1-2H3
InChIKeyHHPJZDMJXODOFI-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572657
1-(2,3-dihydro-1H-indol-3-yl)-2-(3-fluorophenyl)ethanone
CID 116594496
1-[2-(2-methoxy-5-methylphenyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691732
2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 107311420
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79968379
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone
CID 116560715
2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone
CID 116594626
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197
2-(2-methoxy-5-methylphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734683
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402780
2-(2-methoxy-5-methylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanone
CID 115385766

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone (CID 116594701) is 1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone is COc1ccc(C)cc1CC(=O)C1CNc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone?
The InChIKey is HHPJZDMJXODOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-7-8-18(21-2)13(9-12)10-17(20)15-11-19-16-6-4-3-5-14(15)16/h3-9,15,19H,10-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone?
1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone has a molecular weight of 281.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 116594701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).