4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid

C16H8ClNO4 — CID 126667483

IUPAC4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2oc(Cl)cc2c1
InChIInChI=1S/C16H8ClNO4/c17-14-6-10-3-8(7-18)4-12(15(10)22-14)9-1-2-11(16(20)21)13(19)5-9/h1-6,19H,(H,20,21)
InChIKeyCJSLOKWGRCPOMW-UHFFFAOYSA-N
MW313.70 g/mol
LogP4.03
Rot. Bonds2

About 4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid

4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid (PubChem CID 126667483) has the molecular formula C16H8ClNO4 and a molecular weight of 313.70 g/mol. Its IUPAC name is 4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid
PubChem CID126667483
Molecular FormulaC16H8ClNO4
Molecular Weight313.70 g/mol
Exact Mass313.01
IUPAC Name4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2oc(Cl)cc2c1
InChIInChI=1S/C16H8ClNO4/c17-14-6-10-3-8(7-18)4-12(15(10)22-14)9-1-2-11(16(20)21)13(19)5-9/h1-6,19H,(H,20,21)
InChIKeyCJSLOKWGRCPOMW-UHFFFAOYSA-N
XLogP4.03
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.70
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid (CID 126667483) is 4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid is N#Cc1cc(-c2ccc(C(=O)O)c(O)c2)c2oc(Cl)cc2c1.
What is the InChIKey of 4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid?
The InChIKey is CJSLOKWGRCPOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClNO4/c17-14-6-10-3-8(7-18)4-12(15(10)22-14)9-1-2-11(16(20)21)13(19)5-9/h1-6,19H,(H,20,21).
What are the key properties of 4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid?
4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid has a molecular weight of 313.70 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-cyano-1-benzofuran-7-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 126667483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).