1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione

C16H12O3S — CID 90363754

IUPAC1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione
SMILESO=C(CCC(=O)c1cccs1)c1ccc2occc2c1
InChIInChI=1S/C16H12O3S/c17-13(4-5-14(18)16-2-1-9-20-16)11-3-6-15-12(10-11)7-8-19-15/h1-3,6-10H,4-5H2
InChIKeyJOXCOMVFSQMZOH-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.34
Rot. Bonds5

About 1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione

1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione (PubChem CID 90363754) has the molecular formula C16H12O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione
PubChem CID90363754
Molecular FormulaC16H12O3S
Molecular Weight284.34 g/mol
Exact Mass284.05
IUPAC Name1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione
SMILESO=C(CCC(=O)c1cccs1)c1ccc2occc2c1
InChIInChI=1S/C16H12O3S/c17-13(4-5-14(18)16-2-1-9-20-16)11-3-6-15-12(10-11)7-8-19-15/h1-3,6-10H,4-5H2
InChIKeyJOXCOMVFSQMZOH-UHFFFAOYSA-N
XLogP4.34
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzofuran-5-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 90363608
1-(3-methylphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 90363401
1-(3,4-dihydro-2H-chromen-6-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 90354576
1-pyrimidin-5-yl-4-thiophen-2-ylbutane-1,4-dione
CID 90363831
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
1-(4-ethoxyphenyl)-4-thiophen-2-ylbutane-1,4-dione
CID 126061913
2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-3-sulfanylpropanoic acid
CID 108796380
methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium
CID 2064474
1-(1-benzothiophen-5-yl)-4-(furan-2-yl)butane-1,4-dione
CID 90363765
N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18108046
N'-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]thiophene-2-carbohydrazide
CID 2487694
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione?
The IUPAC name of 1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione (CID 90363754) is 1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione.
What is the SMILES notation for 1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione?
The canonical SMILES for 1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione is O=C(CCC(=O)c1cccs1)c1ccc2occc2c1.
What is the InChIKey of 1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione?
The InChIKey is JOXCOMVFSQMZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3S/c17-13(4-5-14(18)16-2-1-9-20-16)11-3-6-15-12(10-11)7-8-19-15/h1-3,6-10H,4-5H2.
What are the key properties of 1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione?
1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione has a molecular weight of 284.34 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-5-yl)-4-thiophen-2-ylbutane-1,4-dione is sourced from PubChem (CID 90363754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).