ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate

C19H19NO3 — CID 142044527

IUPACethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate
SMILESCCOC(=O)c1ccccc1Cn1cc(C)c2cc(O)ccc21
InChIInChI=1S/C19H19NO3/c1-3-23-19(22)16-7-5-4-6-14(16)12-20-11-13(2)17-10-15(21)8-9-18(17)20/h4-11,21H,3,12H2,1-2H3
InChIKeyOSVYJGPMCZPAHV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.88
Rot. Bonds4

About ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate

ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate (PubChem CID 142044527) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate
PubChem CID142044527
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate
SMILESCCOC(=O)c1ccccc1Cn1cc(C)c2cc(O)ccc21
InChIInChI=1S/C19H19NO3/c1-3-23-19(22)16-7-5-4-6-14(16)12-20-11-13(2)17-10-15(21)8-9-18(17)20/h4-11,21H,3,12H2,1-2H3
InChIKeyOSVYJGPMCZPAHV-UHFFFAOYSA-N
XLogP3.88
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate?
The IUPAC name of ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate (CID 142044527) is ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate.
What is the SMILES notation for ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate?
The canonical SMILES for ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate is CCOC(=O)c1ccccc1Cn1cc(C)c2cc(O)ccc21.
What is the InChIKey of ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate?
The InChIKey is OSVYJGPMCZPAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-23-19(22)16-7-5-4-6-14(16)12-20-11-13(2)17-10-15(21)8-9-18(17)20/h4-11,21H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate?
ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate has a molecular weight of 309.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-hydroxy-3-methylindol-1-yl)methyl]benzoate is sourced from PubChem (CID 142044527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).