ethyl 3-methyl-2-phenylindole-3-carboxylate

C18H17NO2 — CID 46854944

IUPACethyl 3-methyl-2-phenylindole-3-carboxylate
SMILESCCOC(=O)C1(C)C(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C18H17NO2/c1-3-21-17(20)18(2)14-11-7-8-12-15(14)19-16(18)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3
InChIKeyMKFBDUMUDOPMND-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.64
Rot. Bonds3

About ethyl 3-methyl-2-phenylindole-3-carboxylate

ethyl 3-methyl-2-phenylindole-3-carboxylate (PubChem CID 46854944) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is ethyl 3-methyl-2-phenylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-2-phenylindole-3-carboxylate
PubChem CID46854944
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Nameethyl 3-methyl-2-phenylindole-3-carboxylate
SMILESCCOC(=O)C1(C)C(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C18H17NO2/c1-3-21-17(20)18(2)14-11-7-8-12-15(14)19-16(18)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3
InChIKeyMKFBDUMUDOPMND-UHFFFAOYSA-N
XLogP3.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-ethyl-3-methylindole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-phenylindole-3-carboxylate?
The IUPAC name of ethyl 3-methyl-2-phenylindole-3-carboxylate (CID 46854944) is ethyl 3-methyl-2-phenylindole-3-carboxylate.
What is the SMILES notation for ethyl 3-methyl-2-phenylindole-3-carboxylate?
The canonical SMILES for ethyl 3-methyl-2-phenylindole-3-carboxylate is CCOC(=O)C1(C)C(c2ccccc2)=Nc2ccccc21.
What is the InChIKey of ethyl 3-methyl-2-phenylindole-3-carboxylate?
The InChIKey is MKFBDUMUDOPMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-21-17(20)18(2)14-11-7-8-12-15(14)19-16(18)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-2-phenylindole-3-carboxylate?
ethyl 3-methyl-2-phenylindole-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-phenylindole-3-carboxylate is sourced from PubChem (CID 46854944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).