methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate

C17H14FNO3 — CID 68616120

IUPACmethyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2c(C)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C17H14FNO3/c1-10-16(14-9-12(18)5-8-15(14)19-10)22-13-6-3-11(4-7-13)17(20)21-2/h3-9,19H,1-2H3
InChIKeyLEBUPZNPRGYPBR-UHFFFAOYSA-N
MW299.30 g/mol
LogP4.19
Rot. Bonds3

About methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate

methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate (PubChem CID 68616120) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate
PubChem CID68616120
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Namemethyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2c(C)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C17H14FNO3/c1-10-16(14-9-12(18)5-8-15(14)19-10)22-13-6-3-11(4-7-13)17(20)21-2/h3-9,19H,1-2H3
InChIKeyLEBUPZNPRGYPBR-UHFFFAOYSA-N
XLogP4.19
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate?
The IUPAC name of methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate (CID 68616120) is methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate.
What is the SMILES notation for methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate?
The canonical SMILES for methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate is COC(=O)c1ccc(Oc2c(C)[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate?
The InChIKey is LEBUPZNPRGYPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-10-16(14-9-12(18)5-8-15(14)19-10)22-13-6-3-11(4-7-13)17(20)21-2/h3-9,19H,1-2H3.
What are the key properties of methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate?
methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate has a molecular weight of 299.30 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-fluoro-2-methyl-1H-indol-3-yl)oxy]benzoate is sourced from PubChem (CID 68616120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).