1-[2-(1H-indol-3-yl)phenyl]propan-1-one

C17H15NO — CID 174611519

IUPAC1-[2-(1H-indol-3-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H15NO/c1-2-17(19)14-9-4-3-7-12(14)15-11-18-16-10-6-5-8-13(15)16/h3-11,18H,2H2,1H3
InChIKeyZYZWEWUAJKSVOQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.43
Rot. Bonds3

About 1-[2-(1H-indol-3-yl)phenyl]propan-1-one

1-[2-(1H-indol-3-yl)phenyl]propan-1-one (PubChem CID 174611519) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)phenyl]propan-1-one
PubChem CID174611519
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-[2-(1H-indol-3-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1-c1c[nH]c2ccccc12
InChIInChI=1S/C17H15NO/c1-2-17(19)14-9-4-3-7-12(14)15-11-18-16-10-6-5-8-13(15)16/h3-11,18H,2H2,1H3
InChIKeyZYZWEWUAJKSVOQ-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one
CID 174735323
methyl 2-(1H-indol-3-yl)benzoate
CID 67678189
1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one
CID 160546260
methyl 2-[2-(ethylcarbamoyl)-3-(1H-indol-3-yl)phenyl]benzoate
CID 69340604
2-(4-oxo-1H-quinolin-3-yl)benzamide
CID 154148110
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine
CID 174403598
hexane-2,4-dione;1-[4-(1H-indol-3-yl)-2-methyl-1H-pyrrol-3-yl]ethanone
CID 154689061
N-(2,6-diethylphenyl)-1H-indole-3-carboxamide
CID 113205558
[2-(1H-indol-3-yl)phenyl]methanesulfonamide
CID 143410357
1-(1H-indol-3-yl)-3-methoxypropan-1-one
CID 163900089
3-ethyl-1H-indole;methanamine
CID 142222050

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)phenyl]propan-1-one?
The IUPAC name of 1-[2-(1H-indol-3-yl)phenyl]propan-1-one (CID 174611519) is 1-[2-(1H-indol-3-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(1H-indol-3-yl)phenyl]propan-1-one is CCC(=O)c1ccccc1-c1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)phenyl]propan-1-one?
The InChIKey is ZYZWEWUAJKSVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-2-17(19)14-9-4-3-7-12(14)15-11-18-16-10-6-5-8-13(15)16/h3-11,18H,2H2,1H3.
What are the key properties of 1-[2-(1H-indol-3-yl)phenyl]propan-1-one?
1-[2-(1H-indol-3-yl)phenyl]propan-1-one has a molecular weight of 249.31 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)phenyl]propan-1-one is sourced from PubChem (CID 174611519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).