4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid

C15H8ClFO3 — CID 114731769

IUPAC4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2cc3cccc(Cl)c3o2)c(F)c1
InChIInChI=1S/C15H8ClFO3/c16-11-3-1-2-8-7-13(20-14(8)11)10-5-4-9(15(18)19)6-12(10)17/h1-7H,(H,18,19)
InChIKeyGXPYYWMUCMXGRE-UHFFFAOYSA-N
MW290.68 g/mol
LogP4.59
Rot. Bonds2

About 4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid

4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid (PubChem CID 114731769) has the molecular formula C15H8ClFO3 and a molecular weight of 290.68 g/mol. Its IUPAC name is 4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid
PubChem CID114731769
Molecular FormulaC15H8ClFO3
Molecular Weight290.68 g/mol
Exact Mass290.01
IUPAC Name4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2cc3cccc(Cl)c3o2)c(F)c1
InChIInChI=1S/C15H8ClFO3/c16-11-3-1-2-8-7-13(20-14(8)11)10-5-4-9(15(18)19)6-12(10)17/h1-7H,(H,18,19)
InChIKeyGXPYYWMUCMXGRE-UHFFFAOYSA-N
XLogP4.59
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid?
The IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid (CID 114731769) is 4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid.
What is the SMILES notation for 4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid?
The canonical SMILES for 4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid is O=C(O)c1ccc(-c2cc3cccc(Cl)c3o2)c(F)c1.
What is the InChIKey of 4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid?
The InChIKey is GXPYYWMUCMXGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFO3/c16-11-3-1-2-8-7-13(20-14(8)11)10-5-4-9(15(18)19)6-12(10)17/h1-7H,(H,18,19).
What are the key properties of 4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid?
4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid has a molecular weight of 290.68 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid is sourced from PubChem (CID 114731769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).