1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid

C17H21NO3 — CID 915863

IUPAC1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(C(=O)O)c(C)n2C1CCCCC1
InChIInChI=1S/C17H21NO3/c1-11-16(17(19)20)14-10-13(21-2)8-9-15(14)18(11)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,19,20)
InChIKeyBPMZOSFCQREIRL-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.16
Rot. Bonds3

About 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid

1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid (PubChem CID 915863) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid
PubChem CID915863
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(C(=O)O)c(C)n2C1CCCCC1
InChIInChI=1S/C17H21NO3/c1-11-16(17(19)20)14-10-13(21-2)8-9-15(14)18(11)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,19,20)
InChIKeyBPMZOSFCQREIRL-UHFFFAOYSA-N
XLogP4.16
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid?
The IUPAC name of 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid (CID 915863) is 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid is COc1ccc2c(c1)c(C(=O)O)c(C)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid?
The InChIKey is BPMZOSFCQREIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-16(17(19)20)14-10-13(21-2)8-9-15(14)18(11)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid?
1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylic acid is sourced from PubChem (CID 915863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).