3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid

C23H23NO2 — CID 68613166

IUPAC3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid
SMILESC=Cc1ccccc1-c1[nH]c2cc(C(=O)O)ccc2c1C1CCCCC1
InChIInChI=1S/C23H23NO2/c1-2-15-8-6-7-11-18(15)22-21(16-9-4-3-5-10-16)19-13-12-17(23(25)26)14-20(19)24-22/h2,6-8,11-14,16,24H,1,3-5,9-10H2,(H,25,26)
InChIKeyTZMAZADPHYXBFO-UHFFFAOYSA-N
MW345.44 g/mol
LogP6.22
Rot. Bonds4

About 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid

3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid (PubChem CID 68613166) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid
PubChem CID68613166
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid
SMILESC=Cc1ccccc1-c1[nH]c2cc(C(=O)O)ccc2c1C1CCCCC1
InChIInChI=1S/C23H23NO2/c1-2-15-8-6-7-11-18(15)22-21(16-9-4-3-5-10-16)19-13-12-17(23(25)26)14-20(19)24-22/h2,6-8,11-14,16,24H,1,3-5,9-10H2,(H,25,26)
InChIKeyTZMAZADPHYXBFO-UHFFFAOYSA-N
XLogP6.22
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid (CID 68613166) is 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid is C=Cc1ccccc1-c1[nH]c2cc(C(=O)O)ccc2c1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid?
The InChIKey is TZMAZADPHYXBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-2-15-8-6-7-11-18(15)22-21(16-9-4-3-5-10-16)19-13-12-17(23(25)26)14-20(19)24-22/h2,6-8,11-14,16,24H,1,3-5,9-10H2,(H,25,26).
What are the key properties of 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid?
3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid has a molecular weight of 345.44 g/mol, XLogP of 6.22, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(2-ethenylphenyl)-1H-indole-6-carboxylic acid is sourced from PubChem (CID 68613166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).