methyl 1-methyl-3-phenylindole-6-carboxylate

C17H15NO2 — CID 59626075

IUPACmethyl 1-methyl-3-phenylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3ccccc3)cn(C)c2c1
InChIInChI=1S/C17H15NO2/c1-18-11-15(12-6-4-3-5-7-12)14-9-8-13(10-16(14)18)17(19)20-2/h3-11H,1-2H3
InChIKeyWPXTXNRLTRLDGI-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.63
Rot. Bonds2

About methyl 1-methyl-3-phenylindole-6-carboxylate

methyl 1-methyl-3-phenylindole-6-carboxylate (PubChem CID 59626075) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 1-methyl-3-phenylindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-phenylindole-6-carboxylate
PubChem CID59626075
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Namemethyl 1-methyl-3-phenylindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3ccccc3)cn(C)c2c1
InChIInChI=1S/C17H15NO2/c1-18-11-15(12-6-4-3-5-7-12)14-9-8-13(10-16(14)18)17(19)20-2/h3-11H,1-2H3
InChIKeyWPXTXNRLTRLDGI-UHFFFAOYSA-N
XLogP3.63
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Jwh 250
CID 44397540
Jwh 302
CID 11493740
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Methyl indole-3-carboxylate
CID 589098
Indocate
CID 65776
1H-indole-6-carboxylic acid
CID 595230
methyl 1H-indole-4-carboxylate
CID 2733668
Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate
CID 3829008
1-benzyl-1H-indole-3-carboxylic acid
CID 33671
Methyl indole-6-carboxylate
CID 639844
Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
1-Methylindole-3-carboxylic acid
CID 854040

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-phenylindole-6-carboxylate?
The IUPAC name of methyl 1-methyl-3-phenylindole-6-carboxylate (CID 59626075) is methyl 1-methyl-3-phenylindole-6-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-phenylindole-6-carboxylate?
The canonical SMILES for methyl 1-methyl-3-phenylindole-6-carboxylate is COC(=O)c1ccc2c(-c3ccccc3)cn(C)c2c1.
What is the InChIKey of methyl 1-methyl-3-phenylindole-6-carboxylate?
The InChIKey is WPXTXNRLTRLDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18-11-15(12-6-4-3-5-7-12)14-9-8-13(10-16(14)18)17(19)20-2/h3-11H,1-2H3.
What are the key properties of methyl 1-methyl-3-phenylindole-6-carboxylate?
methyl 1-methyl-3-phenylindole-6-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-phenylindole-6-carboxylate is sourced from PubChem (CID 59626075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).