5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid

C16H21NO3 — CID 83946162

IUPAC5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(c1)c(C(C)O)cn2C(C)C
InChIInChI=1S/C16H21NO3/c1-5-11-6-12-14(10(4)18)8-17(9(2)3)15(12)13(7-11)16(19)20/h6-10,18H,5H2,1-4H3,(H,19,20)
InChIKeyGBQORNMBMBWNMJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.54
Rot. Bonds4

About 5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid

5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid (PubChem CID 83946162) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid
PubChem CID83946162
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(c1)c(C(C)O)cn2C(C)C
InChIInChI=1S/C16H21NO3/c1-5-11-6-12-14(10(4)18)8-17(9(2)3)15(12)13(7-11)16(19)20/h6-10,18H,5H2,1-4H3,(H,19,20)
InChIKeyGBQORNMBMBWNMJ-UHFFFAOYSA-N
XLogP3.54
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid
CID 83946131
5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83946165
1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid
CID 83946210
7-tert-butyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 83945606
5-ethyl-3-formyl-2-methyl-1-propan-2-ylindole-7-carboxylic acid
CID 83947294
5-ethyl-1,3-dimethylindole-7-carboxylic acid
CID 83946143
6-ethyl-1-propan-2-ylindole-4-carboxylic acid
CID 123691818
1,3,5-triethylindole-7-carboxylic acid
CID 83946119
1,3-di(propan-2-yl)indole-7-carboxylic acid
CID 83945414
1-butyl-3,5-diethylindole-7-carboxylic acid
CID 83946172
3-butyl-1,5-di(propan-2-yl)indole-7-carboxylic acid
CID 83946264
1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83945413

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid?
The IUPAC name of 5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid (CID 83946162) is 5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid?
The canonical SMILES for 5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid is CCc1cc(C(=O)O)c2c(c1)c(C(C)O)cn2C(C)C.
What is the InChIKey of 5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid?
The InChIKey is GBQORNMBMBWNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-5-11-6-12-14(10(4)18)8-17(9(2)3)15(12)13(7-11)16(19)20/h6-10,18H,5H2,1-4H3,(H,19,20).
What are the key properties of 5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid?
5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid is sourced from PubChem (CID 83946162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).