1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone

C15H19NO2 — CID 83947605

IUPAC1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCO)c2c(C)cc(C)cc12
InChIInChI=1S/C15H19NO2/c1-10-7-11(2)15-13(8-10)14(12(3)18)9-16(15)5-4-6-17/h7-9,17H,4-6H2,1-3H3
InChIKeyJRFSOUKKAFBKMA-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.84
Rot. Bonds4

About 1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone

1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone (PubChem CID 83947605) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone
PubChem CID83947605
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCO)c2c(C)cc(C)cc12
InChIInChI=1S/C15H19NO2/c1-10-7-11(2)15-13(8-10)14(12(3)18)9-16(15)5-4-6-17/h7-9,17H,4-6H2,1-3H3
InChIKeyJRFSOUKKAFBKMA-UHFFFAOYSA-N
XLogP2.84
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-1-(3-hydroxypropyl)-5-methylindole-7-carboxylic acid
CID 83947954
3-acetyl-1-(3-hydroxypropyl)-5-methylindole-6-carboxylic acid
CID 83947015
3-acetyl-7-methyl-1-propylindole-5-carboxylic acid
CID 83947911
3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol
CID 83944989
4-(3-acetyl-7-methylindol-1-yl)butanoic acid
CID 117098575
1-[1-(3-hydroxypropyl)-5-propan-2-ylindol-3-yl]ethanone
CID 83947629
1-(3-hydroxypropyl)-3,6-dimethylindole-7-carboxylic acid
CID 83946407
1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone
CID 83947416
1-(3-hydroxypropyl)-3-methyl-7-propan-2-ylindole-5-carboxylic acid
CID 83945803
1-(1-but-3-enyl-7-methylindol-3-yl)ethanone
CID 117098586
3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine
CID 83948572
1-[1-(2,2-dimethylpropyl)-7-methyl-5-(2-methylpyrimidin-5-yl)indol-3-yl]ethanone
CID 167316561

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone?
The IUPAC name of 1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone (CID 83947605) is 1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone is CC(=O)c1cn(CCCO)c2c(C)cc(C)cc12.
What is the InChIKey of 1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone?
The InChIKey is JRFSOUKKAFBKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-7-11(2)15-13(8-10)14(12(3)18)9-16(15)5-4-6-17/h7-9,17H,4-6H2,1-3H3.
What are the key properties of 1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone?
1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone has a molecular weight of 245.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-hydroxypropyl)-5,7-dimethylindol-3-yl]ethanone is sourced from PubChem (CID 83947605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).