2-(1-benzothiophen-3-yl)-1-phenylethanone

C16H12OS — CID 11779987

IUPAC2-(1-benzothiophen-3-yl)-1-phenylethanone
SMILESO=C(Cc1csc2ccccc12)c1ccccc1
InChIInChI=1S/C16H12OS/c17-15(12-6-2-1-3-7-12)10-13-11-18-16-9-5-4-8-14(13)16/h1-9,11H,10H2
InChIKeySFQHXQMUAGHQOQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.33
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-phenylethanone

2-(1-benzothiophen-3-yl)-1-phenylethanone (PubChem CID 11779987) has the molecular formula C16H12OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-phenylethanone
PubChem CID11779987
Molecular FormulaC16H12OS
Molecular Weight252.34 g/mol
Exact Mass252.06
IUPAC Name2-(1-benzothiophen-3-yl)-1-phenylethanone
SMILESO=C(Cc1csc2ccccc12)c1ccccc1
InChIInChI=1S/C16H12OS/c17-15(12-6-2-1-3-7-12)10-13-11-18-16-9-5-4-8-14(13)16/h1-9,11H,10H2
InChIKeySFQHXQMUAGHQOQ-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-phenylethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-phenylethanone (CID 11779987) is 2-(1-benzothiophen-3-yl)-1-phenylethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-phenylethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-phenylethanone is O=C(Cc1csc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-phenylethanone?
The InChIKey is SFQHXQMUAGHQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OS/c17-15(12-6-2-1-3-7-12)10-13-11-18-16-9-5-4-8-14(13)16/h1-9,11H,10H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-phenylethanone?
2-(1-benzothiophen-3-yl)-1-phenylethanone has a molecular weight of 252.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-phenylethanone is sourced from PubChem (CID 11779987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).