methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate

C17H21NO3 — CID 90682241

IUPACmethyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OCC3CCCCC3)cccc2[nH]1
InChIInChI=1S/C17H21NO3/c1-20-17(19)15-10-13-14(18-15)8-5-9-16(13)21-11-12-6-3-2-4-7-12/h5,8-10,12,18H,2-4,6-7,11H2,1H3
InChIKeyNCLATQJLINZEQR-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.91
Rot. Bonds4

About methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate

methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate (PubChem CID 90682241) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate
PubChem CID90682241
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2c(OCC3CCCCC3)cccc2[nH]1
InChIInChI=1S/C17H21NO3/c1-20-17(19)15-10-13-14(18-15)8-5-9-16(13)21-11-12-6-3-2-4-7-12/h5,8-10,12,18H,2-4,6-7,11H2,1H3
InChIKeyNCLATQJLINZEQR-UHFFFAOYSA-N
XLogP3.91
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate (CID 90682241) is methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate is COC(=O)c1cc2c(OCC3CCCCC3)cccc2[nH]1.
What is the InChIKey of methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate?
The InChIKey is NCLATQJLINZEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-17(19)15-10-13-14(18-15)8-5-9-16(13)21-11-12-6-3-2-4-7-12/h5,8-10,12,18H,2-4,6-7,11H2,1H3.
What are the key properties of methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate?
methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclohexylmethoxy)-1H-indole-2-carboxylate is sourced from PubChem (CID 90682241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).