ethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate

C18H17NO3 — CID 626459

IUPACethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C18H17NO3/c1-3-22-18(21)17-12(2)19(13-7-5-4-6-8-13)16-10-9-14(20)11-15(16)17/h4-11,20H,3H2,1-2H3
InChIKeyFXHQPYDEYABRMX-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.82
Rot. Bonds3

About ethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate

ethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate (PubChem CID 626459) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate
PubChem CID626459
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C18H17NO3/c1-3-22-18(21)17-12(2)19(13-7-5-4-6-8-13)16-10-9-14(20)11-15(16)17/h4-11,20H,3H2,1-2H3
InChIKeyFXHQPYDEYABRMX-UHFFFAOYSA-N
XLogP3.82
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate (CID 626459) is ethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate is CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12.
What is the InChIKey of ethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate?
The InChIKey is FXHQPYDEYABRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-3-22-18(21)17-12(2)19(13-7-5-4-6-8-13)16-10-9-14(20)11-15(16)17/h4-11,20H,3H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate?
ethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-methyl-1-phenylindole-3-carboxylate is sourced from PubChem (CID 626459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).