1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid

C18H23NO2 — CID 56631463

IUPAC1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid
SMILESCc1cn(CCC2CCCCC2)c2cc(C(=O)O)ccc12
InChIInChI=1S/C18H23NO2/c1-13-12-19(10-9-14-5-3-2-4-6-14)17-11-15(18(20)21)7-8-16(13)17/h7-8,11-12,14H,2-6,9-10H2,1H3,(H,20,21)
InChIKeyNHIXLYFMJTVJRZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.62
Rot. Bonds4

About 1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid

1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid (PubChem CID 56631463) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid
PubChem CID56631463
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid
SMILESCc1cn(CCC2CCCCC2)c2cc(C(=O)O)ccc12
InChIInChI=1S/C18H23NO2/c1-13-12-19(10-9-14-5-3-2-4-6-14)17-11-15(18(20)21)7-8-16(13)17/h7-8,11-12,14H,2-6,9-10H2,1H3,(H,20,21)
InChIKeyNHIXLYFMJTVJRZ-UHFFFAOYSA-N
XLogP4.62
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethyl)-3-methylindole-6-carboxylic acid;hydrochloride
CID 67637530
1-(2-aminoethyl)-3-methylindole-6-carboxylic acid
CID 83946650
1-(4-carboxybutyl)-3-cyclohexylindole-6-carboxylic acid
CID 56590629
1-(2-cyclohexylethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63548848
3-methyl-1-propylindole-5-carboxylic acid
CID 83945011
1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid
CID 83963535
1-butyl-3-methylindole-5-carboxylic acid
CID 83946820
3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid
CID 106003502
2-(2-cyclopentylethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 60919511
1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83948084
3-(cyclobutylmethoxy)-1-methylindazole-6-carboxylic acid
CID 112757809
1-(2-cyclohexylethyl)-4-iodopyrrole-2-carboxylic acid
CID 114604177

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid?
The IUPAC name of 1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid (CID 56631463) is 1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid is Cc1cn(CCC2CCCCC2)c2cc(C(=O)O)ccc12.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid?
The InChIKey is NHIXLYFMJTVJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-12-19(10-9-14-5-3-2-4-6-14)17-11-15(18(20)21)7-8-16(13)17/h7-8,11-12,14H,2-6,9-10H2,1H3,(H,20,21).
What are the key properties of 1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid?
1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid is sourced from PubChem (CID 56631463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).