2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one

C16H10O2S2 — CID 139292968

IUPAC2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one
SMILESO=C1c2ccccc2SC1c1sc2ccccc2c1O
InChIInChI=1S/C16H10O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8,15,18H
InChIKeyBOGUEEXJYJZAJG-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.64
Rot. Bonds1

About 2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one

2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one (PubChem CID 139292968) has the molecular formula C16H10O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one.

Molecular Properties

Compound Name2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one
PubChem CID139292968
Molecular FormulaC16H10O2S2
Molecular Weight298.39 g/mol
Exact Mass298.01
IUPAC Name2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one
SMILESO=C1c2ccccc2SC1c1sc2ccccc2c1O
InChIInChI=1S/C16H10O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8,15,18H
InChIKeyBOGUEEXJYJZAJG-UHFFFAOYSA-N
XLogP4.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one?
The IUPAC name of 2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one (CID 139292968) is 2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one.
What is the SMILES notation for 2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one?
The canonical SMILES for 2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one is O=C1c2ccccc2SC1c1sc2ccccc2c1O.
What is the InChIKey of 2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one?
The InChIKey is BOGUEEXJYJZAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8,15,18H.
What are the key properties of 2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one?
2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one has a molecular weight of 298.39 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-benzothiophen-2-yl)-1-benzothiophen-3-one is sourced from PubChem (CID 139292968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).