1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid

C17H21NO3 — CID 58306743

IUPAC1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid
SMILESO=C(O)c1cccc2ccn(CCOC3CCCCC3)c12
InChIInChI=1S/C17H21NO3/c19-17(20)15-8-4-5-13-9-10-18(16(13)15)11-12-21-14-6-2-1-3-7-14/h4-5,8-10,14H,1-3,6-7,11-12H2,(H,19,20)
InChIKeyBGDGVTNHDUVAIW-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.69
Rot. Bonds5

About 1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid

1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid (PubChem CID 58306743) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid
PubChem CID58306743
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid
SMILESO=C(O)c1cccc2ccn(CCOC3CCCCC3)c12
InChIInChI=1S/C17H21NO3/c19-17(20)15-8-4-5-13-9-10-18(16(13)15)11-12-21-14-6-2-1-3-7-14/h4-5,8-10,14H,1-3,6-7,11-12H2,(H,19,20)
InChIKeyBGDGVTNHDUVAIW-UHFFFAOYSA-N
XLogP3.69
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid?
The IUPAC name of 1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid (CID 58306743) is 1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid.
What is the SMILES notation for 1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid?
The canonical SMILES for 1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid is O=C(O)c1cccc2ccn(CCOC3CCCCC3)c12.
What is the InChIKey of 1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid?
The InChIKey is BGDGVTNHDUVAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-17(20)15-8-4-5-13-9-10-18(16(13)15)11-12-21-14-6-2-1-3-7-14/h4-5,8-10,14H,1-3,6-7,11-12H2,(H,19,20).
What are the key properties of 1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid?
1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxyethyl)indole-7-carboxylic acid is sourced from PubChem (CID 58306743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).