1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid

C15H19NO3 — CID 145363422

IUPAC1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid
SMILESCOCCn1cc(C(C)C)c2cc(C(=O)O)ccc21
InChIInChI=1S/C15H19NO3/c1-10(2)13-9-16(6-7-19-3)14-5-4-11(15(17)18)8-12(13)14/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)
InChIKeyWSPAQXVUVMDZJU-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.11
Rot. Bonds5

About 1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid

1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid (PubChem CID 145363422) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid
PubChem CID145363422
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid
SMILESCOCCn1cc(C(C)C)c2cc(C(=O)O)ccc21
InChIInChI=1S/C15H19NO3/c1-10(2)13-9-16(6-7-19-3)14-5-4-11(15(17)18)8-12(13)14/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)
InChIKeyWSPAQXVUVMDZJU-UHFFFAOYSA-N
XLogP3.11
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid (CID 145363422) is 1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid is COCCn1cc(C(C)C)c2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid?
The InChIKey is WSPAQXVUVMDZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)13-9-16(6-7-19-3)14-5-4-11(15(17)18)8-12(13)14/h4-5,8-10H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid?
1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid is sourced from PubChem (CID 145363422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).