4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid

C18H11F2NO4 — CID 66841421

IUPAC4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(OCc3coc4cc(F)cc(F)c34)cccc2[nH]1
InChIInChI=1S/C18H11F2NO4/c19-10-4-12(20)17-9(8-25-16(17)5-10)7-24-15-3-1-2-13-11(15)6-14(21-13)18(22)23/h1-6,8,21H,7H2,(H,22,23)
InChIKeyIZBJQRJUYUATNZ-UHFFFAOYSA-N
MW343.29 g/mol
LogP4.47
Rot. Bonds4

About 4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid

4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid (PubChem CID 66841421) has the molecular formula C18H11F2NO4 and a molecular weight of 343.29 g/mol. Its IUPAC name is 4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid
PubChem CID66841421
Molecular FormulaC18H11F2NO4
Molecular Weight343.29 g/mol
Exact Mass343.07
IUPAC Name4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(OCc3coc4cc(F)cc(F)c34)cccc2[nH]1
InChIInChI=1S/C18H11F2NO4/c19-10-4-12(20)17-9(8-25-16(17)5-10)7-24-15-3-1-2-13-11(15)6-14(21-13)18(22)23/h1-6,8,21H,7H2,(H,22,23)
InChIKeyIZBJQRJUYUATNZ-UHFFFAOYSA-N
XLogP4.47
TPSA75.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid?
The IUPAC name of 4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid (CID 66841421) is 4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(OCc3coc4cc(F)cc(F)c34)cccc2[nH]1.
What is the InChIKey of 4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid?
The InChIKey is IZBJQRJUYUATNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2NO4/c19-10-4-12(20)17-9(8-25-16(17)5-10)7-24-15-3-1-2-13-11(15)6-14(21-13)18(22)23/h1-6,8,21H,7H2,(H,22,23).
What are the key properties of 4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid?
4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid has a molecular weight of 343.29 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-difluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 66841421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).