5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid

C18H23NO2 — CID 22311889

IUPAC5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2ccc(CCC3CCCCC3)cc2c1C(=O)O
InChIInChI=1S/C18H23NO2/c1-12-17(18(20)21)15-11-14(9-10-16(15)19-12)8-7-13-5-3-2-4-6-13/h9-11,13,19H,2-8H2,1H3,(H,20,21)
InChIKeyLBRCFGLJVNPERR-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.69
Rot. Bonds4

About 5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid

5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid (PubChem CID 22311889) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid
PubChem CID22311889
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid
SMILESCc1[nH]c2ccc(CCC3CCCCC3)cc2c1C(=O)O
InChIInChI=1S/C18H23NO2/c1-12-17(18(20)21)15-11-14(9-10-16(15)19-12)8-7-13-5-3-2-4-6-13/h9-11,13,19H,2-8H2,1H3,(H,20,21)
InChIKeyLBRCFGLJVNPERR-UHFFFAOYSA-N
XLogP4.69
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-(2-piperidin-2-ylethyl)-1H-indole-3-carboxylic acid
CID 90686795
5-(aminomethyl)-2-methyl-1H-indole-3-carboxylic acid
CID 22311786
5-[2-[bis(2-methylpropyl)amino]ethyl]-2-methyl-1H-indole-3-carboxylic acid
CID 22311939
benzyl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
CID 10110089
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
(5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 96678991
5-[2-(2,5-dimethylpyrrolidin-1-yl)ethoxy]-2-methyl-1H-indole-3-carboxylic acid
CID 22311785
2,3-dihydro-1H-inden-1-yl 2-methyl-5-(2-piperidin-1-ylethyl)-1H-indole-3-carboxylate
CID 22311878
5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid
CID 105464701
2-[2-(2-cyclohexylethyl)-6-methyl-9-oxoacridin-10-yl]acetic acid
CID 138658095
benzyl 5-[2-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]ethyl]-2-methyl-1H-indole-3-carboxylate
CID 10274503
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid?
The IUPAC name of 5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid (CID 22311889) is 5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid.
What is the SMILES notation for 5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid?
The canonical SMILES for 5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid is Cc1[nH]c2ccc(CCC3CCCCC3)cc2c1C(=O)O.
What is the InChIKey of 5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid?
The InChIKey is LBRCFGLJVNPERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-17(18(20)21)15-11-14(9-10-16(15)19-12)8-7-13-5-3-2-4-6-13/h9-11,13,19H,2-8H2,1H3,(H,20,21).
What are the key properties of 5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid?
5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-2-methyl-1H-indole-3-carboxylic acid is sourced from PubChem (CID 22311889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).