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

C17H15NO2 — CID 11277085

IUPACethyl 2-phenyl-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C17H15NO2/c1-2-20-17(19)15-13-10-6-7-11-14(13)18-16(15)12-8-4-3-5-9-12/h3-11,18H,2H2,1H3
InChIKeyPBOQSTKVCGVNDN-UHFFFAOYSA-N
MW265.31 g/mol
LogP4.01
Rot. Bonds3

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

ethyl 2-phenyl-1H-indole-3-carboxylate (PubChem CID 11277085) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-phenyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-1H-indole-3-carboxylate
PubChem CID11277085
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Nameethyl 2-phenyl-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C17H15NO2/c1-2-20-17(19)15-13-10-6-7-11-14(13)18-16(15)12-8-4-3-5-9-12/h3-11,18H,2H2,1H3
InChIKeyPBOQSTKVCGVNDN-UHFFFAOYSA-N
XLogP4.01
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-1H-indole-3-carboxylate?
The IUPAC name of ethyl 2-phenyl-1H-indole-3-carboxylate (CID 11277085) is ethyl 2-phenyl-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 2-phenyl-1H-indole-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of ethyl 2-phenyl-1H-indole-3-carboxylate?
The InChIKey is PBOQSTKVCGVNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-20-17(19)15-13-10-6-7-11-14(13)18-16(15)12-8-4-3-5-9-12/h3-11,18H,2H2,1H3.
What are the key properties of ethyl 2-phenyl-1H-indole-3-carboxylate?
ethyl 2-phenyl-1H-indole-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-1H-indole-3-carboxylate is sourced from PubChem (CID 11277085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).