1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid

C14H17NO3 — CID 83946318

IUPAC1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid
SMILESCCn1cc(C(C)O)c2ccc(C)c(C(=O)O)c21
InChIInChI=1S/C14H17NO3/c1-4-15-7-11(9(3)16)10-6-5-8(2)12(13(10)15)14(17)18/h5-7,9,16H,4H2,1-3H3,(H,17,18)
InChIKeyASDAKBSCXODFPZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.72
Rot. Bonds3

About 1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid

1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid (PubChem CID 83946318) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid
PubChem CID83946318
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid
SMILESCCn1cc(C(C)O)c2ccc(C)c(C(=O)O)c21
InChIInChI=1S/C14H17NO3/c1-4-15-7-11(9(3)16)10-6-5-8(2)12(13(10)15)14(17)18/h5-7,9,16H,4H2,1-3H3,(H,17,18)
InChIKeyASDAKBSCXODFPZ-UHFFFAOYSA-N
XLogP2.72
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid
CID 83946424
1-ethyl-3,6-dimethylindole-7-carboxylic acid
CID 83946322
3-(2-aminoethyl)-1-ethyl-6-methylindole-7-carboxylic acid
CID 83946328
1-(3-hydroxypropyl)-3,6-dimethylindole-7-carboxylic acid
CID 83946407
1-(1-ethyl-7-methoxyindol-3-yl)ethanol
CID 117197918
1,3-dibutyl-6-methylindole-7-carboxylic acid
CID 83946379
2-chloro-1-ethyl-6,7-dimethylindole-3-carboxylic acid
CID 82268967
1-ethyl-3-formyl-2,6-dimethylindole-7-carboxylic acid
CID 83947324
1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83946012
1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid
CID 83945440
3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid
CID 83945010
1-butyl-2,3,6-trimethylindole-7-carboxylic acid
CID 83964750

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid?
The IUPAC name of 1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid (CID 83946318) is 1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid?
The canonical SMILES for 1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid is CCn1cc(C(C)O)c2ccc(C)c(C(=O)O)c21.
What is the InChIKey of 1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid?
The InChIKey is ASDAKBSCXODFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-15-7-11(9(3)16)10-6-5-8(2)12(13(10)15)14(17)18/h5-7,9,16H,4H2,1-3H3,(H,17,18).
What are the key properties of 1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid?
1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid is sourced from PubChem (CID 83946318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).