5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid

C13H7ClO4 — CID 114731756

IUPAC5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc3cccc(Cl)c3o2)o1
InChIInChI=1S/C13H7ClO4/c14-8-3-1-2-7-6-11(18-12(7)8)9-4-5-10(17-9)13(15)16/h1-6H,(H,15,16)
InChIKeyJRSULZNRHYJBGF-UHFFFAOYSA-N
MW262.65 g/mol
LogP4.04
Rot. Bonds2

About 5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid

5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid (PubChem CID 114731756) has the molecular formula C13H7ClO4 and a molecular weight of 262.65 g/mol. Its IUPAC name is 5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid
PubChem CID114731756
Molecular FormulaC13H7ClO4
Molecular Weight262.65 g/mol
Exact Mass262.00
IUPAC Name5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc3cccc(Cl)c3o2)o1
InChIInChI=1S/C13H7ClO4/c14-8-3-1-2-7-6-11(18-12(7)8)9-4-5-10(17-9)13(15)16/h1-6H,(H,15,16)
InChIKeyJRSULZNRHYJBGF-UHFFFAOYSA-N
XLogP4.04
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.65
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid (CID 114731756) is 5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid is O=C(O)c1ccc(-c2cc3cccc(Cl)c3o2)o1.
What is the InChIKey of 5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid?
The InChIKey is JRSULZNRHYJBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClO4/c14-8-3-1-2-7-6-11(18-12(7)8)9-4-5-10(17-9)13(15)16/h1-6H,(H,15,16).
What are the key properties of 5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid?
5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid has a molecular weight of 262.65 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1-benzofuran-2-yl)furan-2-carboxylic acid is sourced from PubChem (CID 114731756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).