3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid

C21H23NO3 — CID 46232748

IUPAC3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid
SMILESCCn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C21H23NO3/c1-2-22-18-12-15(21(23)24)8-9-17(18)19(14-6-4-3-5-7-14)20(22)16-10-11-25-13-16/h8-14H,2-7H2,1H3,(H,23,24)
InChIKeyQDIOFGGSTXUCLN-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.67
Rot. Bonds4

About 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid

3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid (PubChem CID 46232748) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid
PubChem CID46232748
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid
SMILESCCn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C21H23NO3/c1-2-22-18-12-15(21(23)24)8-9-17(18)19(14-6-4-3-5-7-14)20(22)16-10-11-25-13-16/h8-14H,2-7H2,1H3,(H,23,24)
InChIKeyQDIOFGGSTXUCLN-UHFFFAOYSA-N
XLogP5.67
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid (CID 46232748) is 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid is CCn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid?
The InChIKey is QDIOFGGSTXUCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-2-22-18-12-15(21(23)24)8-9-17(18)19(14-6-4-3-5-7-14)20(22)16-10-11-25-13-16/h8-14H,2-7H2,1H3,(H,23,24).
What are the key properties of 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid?
3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylic acid is sourced from PubChem (CID 46232748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).