2-phenyl-1-thiophen-2-ylethanone

C12H10OS — CID 687090

IUPAC2-phenyl-1-thiophen-2-ylethanone
SMILESO=C(Cc1ccccc1)c1cccs1
InChIInChI=1S/C12H10OS/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyHXMVINSKZVYIDI-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.17
Rot. Bonds3

About 2-phenyl-1-thiophen-2-ylethanone

2-phenyl-1-thiophen-2-ylethanone (PubChem CID 687090) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-phenyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-phenyl-1-thiophen-2-ylethanone
PubChem CID687090
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Name2-phenyl-1-thiophen-2-ylethanone
SMILESO=C(Cc1ccccc1)c1cccs1
InChIInChI=1S/C12H10OS/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyHXMVINSKZVYIDI-UHFFFAOYSA-N
XLogP3.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-phenyl-1-thiophen-2-ylethanone (CID 687090) is 2-phenyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-phenyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-phenyl-1-thiophen-2-ylethanone is O=C(Cc1ccccc1)c1cccs1.
What is the InChIKey of 2-phenyl-1-thiophen-2-ylethanone?
The InChIKey is HXMVINSKZVYIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c13-11(12-7-4-8-14-12)9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 2-phenyl-1-thiophen-2-ylethanone?
2-phenyl-1-thiophen-2-ylethanone has a molecular weight of 202.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 687090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).