(7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone

C15H11BrO2S — CID 63547761

IUPAC(7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2cc3cccc(Br)c3o2)s1
InChIInChI=1S/C15H11BrO2S/c1-2-10-6-7-13(19-10)14(17)12-8-9-4-3-5-11(16)15(9)18-12/h3-8H,2H2,1H3
InChIKeyJFAKNUZLGNIEBJ-UHFFFAOYSA-N
MW335.22 g/mol
LogP5.05
Rot. Bonds3

About (7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone

(7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone (PubChem CID 63547761) has the molecular formula C15H11BrO2S and a molecular weight of 335.22 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone
PubChem CID63547761
Molecular FormulaC15H11BrO2S
Molecular Weight335.22 g/mol
Exact Mass333.97
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone
SMILESCCc1ccc(C(=O)c2cc3cccc(Br)c3o2)s1
InChIInChI=1S/C15H11BrO2S/c1-2-10-6-7-13(19-10)14(17)12-8-9-4-3-5-11(16)15(9)18-12/h3-8H,2H2,1H3
InChIKeyJFAKNUZLGNIEBJ-UHFFFAOYSA-N
XLogP5.05
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.22
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone (CID 63547761) is (7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone is CCc1ccc(C(=O)c2cc3cccc(Br)c3o2)s1.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone?
The InChIKey is JFAKNUZLGNIEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2S/c1-2-10-6-7-13(19-10)14(17)12-8-9-4-3-5-11(16)15(9)18-12/h3-8H,2H2,1H3.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone?
(7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone has a molecular weight of 335.22 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(5-ethylthiophen-2-yl)methanone is sourced from PubChem (CID 63547761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).