2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid

C18H15Cl2NO2 — CID 5027845

IUPAC2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid
SMILESCCc1cccc2c(CC(=O)O)c(-c3ccc(Cl)cc3Cl)[nH]c12
InChIInChI=1S/C18H15Cl2NO2/c1-2-10-4-3-5-12-14(9-16(22)23)18(21-17(10)12)13-7-6-11(19)8-15(13)20/h3-8,21H,2,9H2,1H3,(H,22,23)
InChIKeyFVQASXORZWAXSC-UHFFFAOYSA-N
MW348.23 g/mol
LogP5.33
Rot. Bonds4

About 2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid

2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid (PubChem CID 5027845) has the molecular formula C18H15Cl2NO2 and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid
PubChem CID5027845
Molecular FormulaC18H15Cl2NO2
Molecular Weight348.23 g/mol
Exact Mass347.05
IUPAC Name2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid
SMILESCCc1cccc2c(CC(=O)O)c(-c3ccc(Cl)cc3Cl)[nH]c12
InChIInChI=1S/C18H15Cl2NO2/c1-2-10-4-3-5-12-14(9-16(22)23)18(21-17(10)12)13-7-6-11(19)8-15(13)20/h3-8,21H,2,9H2,1H3,(H,22,23)
InChIKeyFVQASXORZWAXSC-UHFFFAOYSA-N
XLogP5.33
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.23
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid (CID 5027845) is 2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid is CCc1cccc2c(CC(=O)O)c(-c3ccc(Cl)cc3Cl)[nH]c12.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid?
The InChIKey is FVQASXORZWAXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO2/c1-2-10-4-3-5-12-14(9-16(22)23)18(21-17(10)12)13-7-6-11(19)8-15(13)20/h3-8,21H,2,9H2,1H3,(H,22,23).
What are the key properties of 2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid?
2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid has a molecular weight of 348.23 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 5027845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).