1-[4-(1-benzothiophen-7-yl)phenyl]ethanone

C16H12OS — CID 81153516

IUPAC1-[4-(1-benzothiophen-7-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc3ccsc23)cc1
InChIInChI=1S/C16H12OS/c1-11(17)12-5-7-13(8-6-12)15-4-2-3-14-9-10-18-16(14)15/h2-10H,1H3
InChIKeyYBDUODLVPXVUNE-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.77
Rot. Bonds2

About 1-[4-(1-benzothiophen-7-yl)phenyl]ethanone

1-[4-(1-benzothiophen-7-yl)phenyl]ethanone (PubChem CID 81153516) has the molecular formula C16H12OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-[4-(1-benzothiophen-7-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-benzothiophen-7-yl)phenyl]ethanone
PubChem CID81153516
Molecular FormulaC16H12OS
Molecular Weight252.34 g/mol
Exact Mass252.06
IUPAC Name1-[4-(1-benzothiophen-7-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cccc3ccsc23)cc1
InChIInChI=1S/C16H12OS/c1-11(17)12-5-7-13(8-6-12)15-4-2-3-14-9-10-18-16(14)15/h2-10H,1H3
InChIKeyYBDUODLVPXVUNE-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzothiophen-7-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(1-benzothiophen-7-yl)phenyl]ethanone (CID 81153516) is 1-[4-(1-benzothiophen-7-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-benzothiophen-7-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-benzothiophen-7-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cccc3ccsc23)cc1.
What is the InChIKey of 1-[4-(1-benzothiophen-7-yl)phenyl]ethanone?
The InChIKey is YBDUODLVPXVUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OS/c1-11(17)12-5-7-13(8-6-12)15-4-2-3-14-9-10-18-16(14)15/h2-10H,1H3.
What are the key properties of 1-[4-(1-benzothiophen-7-yl)phenyl]ethanone?
1-[4-(1-benzothiophen-7-yl)phenyl]ethanone has a molecular weight of 252.34 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzothiophen-7-yl)phenyl]ethanone is sourced from PubChem (CID 81153516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).