1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione

C15H10O3S — CID 114910186

IUPAC1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione
SMILESO=C(CC(=O)c1cc2ccccc2s1)c1ccco1
InChIInChI=1S/C15H10O3S/c16-11(13-5-3-7-18-13)9-12(17)15-8-10-4-1-2-6-14(10)19-15/h1-8H,9H2
InChIKeyFADPPWRBYYELOH-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.95
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione

1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione (PubChem CID 114910186) has the molecular formula C15H10O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione
PubChem CID114910186
Molecular FormulaC15H10O3S
Molecular Weight270.31 g/mol
Exact Mass270.04
IUPAC Name1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione
SMILESO=C(CC(=O)c1cc2ccccc2s1)c1ccco1
InChIInChI=1S/C15H10O3S/c16-11(13-5-3-7-18-13)9-12(17)15-8-10-4-1-2-6-14(10)19-15/h1-8H,9H2
InChIKeyFADPPWRBYYELOH-UHFFFAOYSA-N
XLogP3.95
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(furan-2-yl)ethanone
CID 115795749
N-[4-[(1-benzothiophene-2-carbonylamino)methyl]phenyl]furan-2-carboxamide
CID 51327730
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
1-(1-benzothiophen-2-yl)propan-1-one;methanamine
CID 171632714
(1-benzothiophene-2-carbonylamino)urea
CID 57488392
bis(1-benzothiophen-2-yl)methanone
CID 5330534
1-(1-benzothiophen-2-yl)-4,4-dimethoxybutane-1,3-dione
CID 114910183
1-(1-benzothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61406420
1-(1-benzothiophen-2-yl)-3-(4-tert-butylphenyl)propane-1,3-dione
CID 89492280
N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 63311495
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 51195690
N-[[5-(furan-2-yl)furan-2-yl]methyl]-1-benzothiophene-2-carboxamide
CID 121019189

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione (CID 114910186) is 1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione is O=C(CC(=O)c1cc2ccccc2s1)c1ccco1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione?
The InChIKey is FADPPWRBYYELOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O3S/c16-11(13-5-3-7-18-13)9-12(17)15-8-10-4-1-2-6-14(10)19-15/h1-8H,9H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione?
1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione has a molecular weight of 270.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-(furan-2-yl)propane-1,3-dione is sourced from PubChem (CID 114910186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).