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

C18H12FNO4 — CID 66841531

IUPAC4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(OCc3coc4cc(F)ccc34)cccc2[nH]1
InChIInChI=1S/C18H12FNO4/c19-11-4-5-12-10(9-24-17(12)6-11)8-23-16-3-1-2-14-13(16)7-15(20-14)18(21)22/h1-7,9,20H,8H2,(H,21,22)
InChIKeyUNPJPBRZIOPRSN-UHFFFAOYSA-N
MW325.30 g/mol
LogP4.33
Rot. Bonds4

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

4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid (PubChem CID 66841531) has the molecular formula C18H12FNO4 and a molecular weight of 325.30 g/mol. Its IUPAC name is 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid
PubChem CID66841531
Molecular FormulaC18H12FNO4
Molecular Weight325.30 g/mol
Exact Mass325.08
IUPAC Name4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(OCc3coc4cc(F)ccc34)cccc2[nH]1
InChIInChI=1S/C18H12FNO4/c19-11-4-5-12-10(9-24-17(12)6-11)8-23-16-3-1-2-14-13(16)7-15(20-14)18(21)22/h1-7,9,20H,8H2,(H,21,22)
InChIKeyUNPJPBRZIOPRSN-UHFFFAOYSA-N
XLogP4.33
TPSA75.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid?
The IUPAC name of 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid (CID 66841531) is 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(OCc3coc4cc(F)ccc34)cccc2[nH]1.
What is the InChIKey of 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid?
The InChIKey is UNPJPBRZIOPRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO4/c19-11-4-5-12-10(9-24-17(12)6-11)8-23-16-3-1-2-14-13(16)7-15(20-14)18(21)22/h1-7,9,20H,8H2,(H,21,22).
What are the key properties of 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid?
4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid has a molecular weight of 325.30 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 66841531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).