methyl 2-phenyl-1H-indole-3-carboxylate

C16H13NO2 — CID 11379731

IUPACmethyl 2-phenyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C16H13NO2/c1-19-16(18)14-12-9-5-6-10-13(12)17-15(14)11-7-3-2-4-8-11/h2-10,17H,1H3
InChIKeyHGITVIYWAGXDTD-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.62
Rot. Bonds2

About methyl 2-phenyl-1H-indole-3-carboxylate

methyl 2-phenyl-1H-indole-3-carboxylate (PubChem CID 11379731) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 2-phenyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-1H-indole-3-carboxylate
PubChem CID11379731
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Namemethyl 2-phenyl-1H-indole-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C16H13NO2/c1-19-16(18)14-12-9-5-6-10-13(12)17-15(14)11-7-3-2-4-8-11/h2-10,17H,1H3
InChIKeyHGITVIYWAGXDTD-UHFFFAOYSA-N
XLogP3.62
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-1H-indole-3-carboxylate?
The IUPAC name of methyl 2-phenyl-1H-indole-3-carboxylate (CID 11379731) is methyl 2-phenyl-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 2-phenyl-1H-indole-3-carboxylate?
The canonical SMILES for methyl 2-phenyl-1H-indole-3-carboxylate is COC(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of methyl 2-phenyl-1H-indole-3-carboxylate?
The InChIKey is HGITVIYWAGXDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-16(18)14-12-9-5-6-10-13(12)17-15(14)11-7-3-2-4-8-11/h2-10,17H,1H3.
What are the key properties of methyl 2-phenyl-1H-indole-3-carboxylate?
methyl 2-phenyl-1H-indole-3-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-1H-indole-3-carboxylate is sourced from PubChem (CID 11379731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).