ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate

C15H19NO4 — CID 70006863

IUPACethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate
SMILESCCCn1c(C)c(OC(=O)OCC)c2cc(O)ccc21
InChIInChI=1S/C15H19NO4/c1-4-8-16-10(3)14(20-15(18)19-5-2)12-9-11(17)6-7-13(12)16/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyGEWZDOGIWZASMY-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.60
Rot. Bonds4

About ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate

ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate (PubChem CID 70006863) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate.

Molecular Properties

Compound Nameethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate
PubChem CID70006863
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate
SMILESCCCn1c(C)c(OC(=O)OCC)c2cc(O)ccc21
InChIInChI=1S/C15H19NO4/c1-4-8-16-10(3)14(20-15(18)19-5-2)12-9-11(17)6-7-13(12)16/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyGEWZDOGIWZASMY-UHFFFAOYSA-N
XLogP3.60
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate?
The IUPAC name of ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate (CID 70006863) is ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate.
What is the SMILES notation for ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate?
The canonical SMILES for ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate is CCCn1c(C)c(OC(=O)OCC)c2cc(O)ccc21.
What is the InChIKey of ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate?
The InChIKey is GEWZDOGIWZASMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-8-16-10(3)14(20-15(18)19-5-2)12-9-11(17)6-7-13(12)16/h6-7,9,17H,4-5,8H2,1-3H3.
What are the key properties of ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate?
ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate has a molecular weight of 277.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate is sourced from PubChem (CID 70006863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).