2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone

C17H13Cl2NO2 — CID 7751372

IUPAC2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2NO2/c1-10-17(12-4-2-3-5-15(12)20-10)16(21)9-22-11-6-7-13(18)14(19)8-11/h2-8,20H,9H2,1H3
InChIKeyODUKGJONWKLAMU-UHFFFAOYSA-N
MW334.20 g/mol
LogP5.04
Rot. Bonds4

About 2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone

2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 7751372) has the molecular formula C17H13Cl2NO2 and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID7751372
Molecular FormulaC17H13Cl2NO2
Molecular Weight334.20 g/mol
Exact Mass333.03
IUPAC Name2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2NO2/c1-10-17(12-4-2-3-5-15(12)20-10)16(21)9-22-11-6-7-13(18)14(19)8-11/h2-8,20H,9H2,1H3
InChIKeyODUKGJONWKLAMU-UHFFFAOYSA-N
XLogP5.04
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.20
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetylphenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 7763763
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821333
4-ethyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-2-one
CID 37238310
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853705
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791394
3-(2-chloro-6-fluorophenyl)-2-methyl-7-[2-(2-methyl-1H-indol-3-yl)-2-oxoethoxy]chromen-4-one
CID 2387610
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7862850
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865660
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2669339
5,6-dichloro-2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]isoindole-1,3-dione
CID 7880189
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 16958586
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
CID 2689613

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone (CID 7751372) is 2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is ODUKGJONWKLAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2/c1-10-17(12-4-2-3-5-15(12)20-10)16(21)9-22-11-6-7-13(18)14(19)8-11/h2-8,20H,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone?
2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 334.20 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 7751372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).