[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate

C18H15NO3 — CID 2689613

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C18H15NO3/c1-12-17(14-9-5-6-10-15(14)19-12)16(20)11-22-18(21)13-7-3-2-4-8-13/h2-10,19H,11H2,1H3
InChIKeyMJWDGGLXRHXAIX-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.52
Rot. Bonds4

About [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate (PubChem CID 2689613) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
PubChem CID2689613
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1
InChIInChI=1S/C18H15NO3/c1-12-17(14-9-5-6-10-15(14)19-12)16(20)11-22-18(21)13-7-3-2-4-8-13/h2-10,19H,11H2,1H3
InChIKeyMJWDGGLXRHXAIX-UHFFFAOYSA-N
XLogP3.52
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7209430
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7448292
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2689740
ethyl 4-(2-benzoyloxyacetyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 7514865
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010293
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 8662949
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 7043789
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-methyl-4-nitrobenzoate
CID 2689685
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2669339
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-ethylbenzoate
CID 7775436
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-phenylbutanoate
CID 47003724
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806393

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate (CID 2689613) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate is Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate?
The InChIKey is MJWDGGLXRHXAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-17(14-9-5-6-10-15(14)19-12)16(20)11-22-18(21)13-7-3-2-4-8-13/h2-10,19H,11H2,1H3.
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate has a molecular weight of 293.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate is sourced from PubChem (CID 2689613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).