2-phenyl-1-benzothiophen-3-one

C14H10OS — CID 4617895

IUPAC2-phenyl-1-benzothiophen-3-one
SMILESO=C1c2ccccc2SC1c1ccccc1
InChIInChI=1S/C14H10OS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9,14H
InChIKeyVWIXUROTJVJZOL-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.72
Rot. Bonds1

About 2-phenyl-1-benzothiophen-3-one

2-phenyl-1-benzothiophen-3-one (PubChem CID 4617895) has the molecular formula C14H10OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-phenyl-1-benzothiophen-3-one.

Molecular Properties

Compound Name2-phenyl-1-benzothiophen-3-one
PubChem CID4617895
Molecular FormulaC14H10OS
Molecular Weight226.30 g/mol
Exact Mass226.05
IUPAC Name2-phenyl-1-benzothiophen-3-one
SMILESO=C1c2ccccc2SC1c1ccccc1
InChIInChI=1S/C14H10OS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9,14H
InChIKeyVWIXUROTJVJZOL-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-benzothiophen-3-one?
The IUPAC name of 2-phenyl-1-benzothiophen-3-one (CID 4617895) is 2-phenyl-1-benzothiophen-3-one.
What is the SMILES notation for 2-phenyl-1-benzothiophen-3-one?
The canonical SMILES for 2-phenyl-1-benzothiophen-3-one is O=C1c2ccccc2SC1c1ccccc1.
What is the InChIKey of 2-phenyl-1-benzothiophen-3-one?
The InChIKey is VWIXUROTJVJZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9,14H.
What are the key properties of 2-phenyl-1-benzothiophen-3-one?
2-phenyl-1-benzothiophen-3-one has a molecular weight of 226.30 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-benzothiophen-3-one is sourced from PubChem (CID 4617895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).