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

C22H15Cl2NO2 — CID 7858967

IUPAC2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H15Cl2NO2/c23-15-10-11-20(17(24)12-15)27-13-19(26)21-16-8-4-5-9-18(16)25-22(21)14-6-2-1-3-7-14/h1-12,25H,13H2
InChIKeySOPFZZLVCBTIPO-UHFFFAOYSA-N
MW396.27 g/mol
LogP6.40
Rot. Bonds5

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

2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone (PubChem CID 7858967) has the molecular formula C22H15Cl2NO2 and a molecular weight of 396.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
PubChem CID7858967
Molecular FormulaC22H15Cl2NO2
Molecular Weight396.27 g/mol
Exact Mass395.05
IUPAC Name2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H15Cl2NO2/c23-15-10-11-20(17(24)12-15)27-13-19(26)21-16-8-4-5-9-18(16)25-22(21)14-6-2-1-3-7-14/h1-12,25H,13H2
InChIKeySOPFZZLVCBTIPO-UHFFFAOYSA-N
XLogP6.40
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.27
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 2568914
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865660
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-chloropyridine-2-carboxylate
CID 8804245
3-methoxy-4-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethoxy]benzonitrile
CID 7757263
2-(2,4-dichlorophenoxy)-1-(2-hydroxy-1-methylindol-3-yl)ethanone
CID 170771181
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate
CID 24558539
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-(2,4-dichlorophenoxy)-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]acetamide
CID 2156468
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 2-ethoxybenzoate
CID 7758132
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
1-O-ethyl 4-O-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] (E)-but-2-enedioate
CID 7851494

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone (CID 7858967) is 2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone is O=C(COc1ccc(Cl)cc1Cl)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone?
The InChIKey is SOPFZZLVCBTIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO2/c23-15-10-11-20(17(24)12-15)27-13-19(26)21-16-8-4-5-9-18(16)25-22(21)14-6-2-1-3-7-14/h1-12,25H,13H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone?
2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone has a molecular weight of 396.27 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-(2-phenyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 7858967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).