methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate

C15H19NO4 — CID 90682247

IUPACmethyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate
SMILESCCCOc1c(OCC)ccc2[nH]c(C(=O)OC)cc12
InChIInChI=1S/C15H19NO4/c1-4-8-20-14-10-9-12(15(17)18-3)16-11(10)6-7-13(14)19-5-2/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyCWNFETROALDMNF-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.14
Rot. Bonds6

About methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate

methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate (PubChem CID 90682247) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate
PubChem CID90682247
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate
SMILESCCCOc1c(OCC)ccc2[nH]c(C(=O)OC)cc12
InChIInChI=1S/C15H19NO4/c1-4-8-20-14-10-9-12(15(17)18-3)16-11(10)6-7-13(14)19-5-2/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyCWNFETROALDMNF-UHFFFAOYSA-N
XLogP3.14
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-5-methoxy-1H-indole-2-carboxylate
CID 7141873
methyl 4-ethoxy-5-methyl-1H-pyrrole-2-carboxylate
CID 10797537
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
methyl 5-ethoxy-6-hydroxy-1H-indole-2-carboxylate
CID 168814856
methyl 5-fluoro-4-hydroxy-1H-indole-2-carboxylate
CID 131390068
methyl 5-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 66927086
methyl 3,4,5-tripropoxybenzoate
CID 19820325
methyl 4-amino-1H-indole-2-carboxylate
CID 19955413
methyl 4-(3-propan-2-ylsulfonylpropoxy)-1H-indole-2-carboxylate
CID 138014570
1-butoxy-3,4-diethoxy-2-propoxybenzene
CID 70308911
methyl 4-chloro-5-fluoro-1H-indole-2-carboxylate
CID 130408699
methyl 4-bromo-5-iodo-1H-indole-2-carboxylate
CID 147093940

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate (CID 90682247) is methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate is CCCOc1c(OCC)ccc2[nH]c(C(=O)OC)cc12.
What is the InChIKey of methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate?
The InChIKey is CWNFETROALDMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-8-20-14-10-9-12(15(17)18-3)16-11(10)6-7-13(14)19-5-2/h6-7,9,16H,4-5,8H2,1-3H3.
What are the key properties of methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate?
methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethoxy-4-propoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 90682247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).