ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate

C18H15F2NO5 — CID 58872506

IUPACethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(c2cc(F)c(F)cc2O)c2ccccc21
InChIInChI=1S/C18H15F2NO5/c1-2-26-16(23)9-21-14-6-4-3-5-10(14)18(25,17(21)24)11-7-12(19)13(20)8-15(11)22/h3-8,22,25H,2,9H2,1H3
InChIKeyOXHJXICFXIBKLQ-UHFFFAOYSA-N
MW363.32 g/mol
LogP1.82
Rot. Bonds4

About ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate

ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate (PubChem CID 58872506) has the molecular formula C18H15F2NO5 and a molecular weight of 363.32 g/mol. Its IUPAC name is ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate
PubChem CID58872506
Molecular FormulaC18H15F2NO5
Molecular Weight363.32 g/mol
Exact Mass363.09
IUPAC Nameethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(O)(c2cc(F)c(F)cc2O)c2ccccc21
InChIInChI=1S/C18H15F2NO5/c1-2-26-16(23)9-21-14-6-4-3-5-10(14)18(25,17(21)24)11-7-12(19)13(20)8-15(11)22/h3-8,22,25H,2,9H2,1H3
InChIKeyOXHJXICFXIBKLQ-UHFFFAOYSA-N
XLogP1.82
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate (CID 58872506) is ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate is CCOC(=O)CN1C(=O)C(O)(c2cc(F)c(F)cc2O)c2ccccc21.
What is the InChIKey of ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate?
The InChIKey is OXHJXICFXIBKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO5/c1-2-26-16(23)9-21-14-6-4-3-5-10(14)18(25,17(21)24)11-7-12(19)13(20)8-15(11)22/h3-8,22,25H,2,9H2,1H3.
What are the key properties of ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate?
ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate has a molecular weight of 363.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4,5-difluoro-2-hydroxyphenyl)-3-hydroxy-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 58872506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).