2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid

C18H19NO3 — CID 70356669

IUPAC2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid
SMILESCCC1(C(=O)O)Cc2ccccc2N1c1cccc(OC)c1
InChIInChI=1S/C18H19NO3/c1-3-18(17(20)21)12-13-7-4-5-10-16(13)19(18)14-8-6-9-15(11-14)22-2/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyHVWMDDHPMOXSDU-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.62
Rot. Bonds4

About 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid

2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid (PubChem CID 70356669) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid
PubChem CID70356669
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid
SMILESCCC1(C(=O)O)Cc2ccccc2N1c1cccc(OC)c1
InChIInChI=1S/C18H19NO3/c1-3-18(17(20)21)12-13-7-4-5-10-16(13)19(18)14-8-6-9-15(11-14)22-2/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyHVWMDDHPMOXSDU-UHFFFAOYSA-N
XLogP3.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid (CID 70356669) is 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid is CCC1(C(=O)O)Cc2ccccc2N1c1cccc(OC)c1.
What is the InChIKey of 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid?
The InChIKey is HVWMDDHPMOXSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-18(17(20)21)12-13-7-4-5-10-16(13)19(18)14-8-6-9-15(11-14)22-2/h4-11H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid?
2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid is sourced from PubChem (CID 70356669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).