ethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate

C19H19NO3 — CID 687252

IUPACethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(O)cc12
InChIInChI=1S/C19H19NO3/c1-4-23-19(22)18-13(3)20(14-7-5-6-12(2)10-14)17-9-8-15(21)11-16(17)18/h5-11,21H,4H2,1-3H3
InChIKeyKZFFTSBSFGSJFS-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.13
Rot. Bonds3

About ethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate

ethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate (PubChem CID 687252) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate
PubChem CID687252
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(O)cc12
InChIInChI=1S/C19H19NO3/c1-4-23-19(22)18-13(3)20(14-7-5-6-12(2)10-14)17-9-8-15(21)11-16(17)18/h5-11,21H,4H2,1-3H3
InChIKeyKZFFTSBSFGSJFS-UHFFFAOYSA-N
XLogP4.13
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.13
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-(3-methylphenyl)indole-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate (CID 687252) is ethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate is CCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(O)cc12.
What is the InChIKey of ethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate?
The InChIKey is KZFFTSBSFGSJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-4-23-19(22)18-13(3)20(14-7-5-6-12(2)10-14)17-9-8-15(21)11-16(17)18/h5-11,21H,4H2,1-3H3.
What are the key properties of ethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate?
ethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)indole-3-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 4.13, 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-(3-methylphenyl)indole-3-carboxylate is sourced from PubChem (CID 687252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).