4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid

C16H9NO4 — CID 126667620

IUPAC4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2ccoc2c1
InChIInChI=1S/C16H9NO4/c17-8-9-5-13(11-3-4-21-15(11)6-9)10-1-2-12(16(19)20)14(18)7-10/h1-7,18H,(H,19,20)
InChIKeyRKGVLGLUAHVJET-UHFFFAOYSA-N
MW279.25 g/mol
LogP3.38
Rot. Bonds2

About 4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid

4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid (PubChem CID 126667620) has the molecular formula C16H9NO4 and a molecular weight of 279.25 g/mol. Its IUPAC name is 4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid
PubChem CID126667620
Molecular FormulaC16H9NO4
Molecular Weight279.25 g/mol
Exact Mass279.05
IUPAC Name4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2ccoc2c1
InChIInChI=1S/C16H9NO4/c17-8-9-5-13(11-3-4-21-15(11)6-9)10-1-2-12(16(19)20)14(18)7-10/h1-7,18H,(H,19,20)
InChIKeyRKGVLGLUAHVJET-UHFFFAOYSA-N
XLogP3.38
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid (CID 126667620) is 4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid is N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2ccoc2c1.
What is the InChIKey of 4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid?
The InChIKey is RKGVLGLUAHVJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9NO4/c17-8-9-5-13(11-3-4-21-15(11)6-9)10-1-2-12(16(19)20)14(18)7-10/h1-7,18H,(H,19,20).
What are the key properties of 4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid?
4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid has a molecular weight of 279.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyano-1-benzofuran-4-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 126667620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).