methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate

C16H11F2NO3 — CID 67228187

IUPACmethyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate
SMILESCOC(=O)c1ccc(F)cc1Oc1cc2cc[nH]c2cc1F
InChIInChI=1S/C16H11F2NO3/c1-21-16(20)11-3-2-10(17)7-14(11)22-15-6-9-4-5-19-13(9)8-12(15)18/h2-8,19H,1H3
InChIKeyQQMLEGUPCMUBAQ-UHFFFAOYSA-N
MW303.26 g/mol
LogP4.03
Rot. Bonds3

About methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate

methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate (PubChem CID 67228187) has the molecular formula C16H11F2NO3 and a molecular weight of 303.26 g/mol. Its IUPAC name is methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate
PubChem CID67228187
Molecular FormulaC16H11F2NO3
Molecular Weight303.26 g/mol
Exact Mass303.07
IUPAC Namemethyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate
SMILESCOC(=O)c1ccc(F)cc1Oc1cc2cc[nH]c2cc1F
InChIInChI=1S/C16H11F2NO3/c1-21-16(20)11-3-2-10(17)7-14(11)22-15-6-9-4-5-19-13(9)8-12(15)18/h2-8,19H,1H3
InChIKeyQQMLEGUPCMUBAQ-UHFFFAOYSA-N
XLogP4.03
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate?
The IUPAC name of methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate (CID 67228187) is methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate.
What is the SMILES notation for methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate?
The canonical SMILES for methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate is COC(=O)c1ccc(F)cc1Oc1cc2cc[nH]c2cc1F.
What is the InChIKey of methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate?
The InChIKey is QQMLEGUPCMUBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO3/c1-21-16(20)11-3-2-10(17)7-14(11)22-15-6-9-4-5-19-13(9)8-12(15)18/h2-8,19H,1H3.
What are the key properties of methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate?
methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate has a molecular weight of 303.26 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-[(6-fluoro-1H-indol-5-yl)oxy]benzoate is sourced from PubChem (CID 67228187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).