2-phenylcyclopenta[b]thiophen-4-one

C13H8OS — CID 175578441

IUPAC2-phenylcyclopenta[b]thiophen-4-one
SMILESO=C1C=Cc2sc(-c3ccccc3)cc21
InChIInChI=1S/C13H8OS/c14-11-6-7-12-10(11)8-13(15-12)9-4-2-1-3-5-9/h1-8H
InChIKeySANHUCQLAMCISH-UHFFFAOYSA-N
MW212.27 g/mol
LogP3.62
Rot. Bonds1

About 2-phenylcyclopenta[b]thiophen-4-one

2-phenylcyclopenta[b]thiophen-4-one (PubChem CID 175578441) has the molecular formula C13H8OS and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-phenylcyclopenta[b]thiophen-4-one.

Molecular Properties

Compound Name2-phenylcyclopenta[b]thiophen-4-one
PubChem CID175578441
Molecular FormulaC13H8OS
Molecular Weight212.27 g/mol
Exact Mass212.03
IUPAC Name2-phenylcyclopenta[b]thiophen-4-one
SMILESO=C1C=Cc2sc(-c3ccccc3)cc21
InChIInChI=1S/C13H8OS/c14-11-6-7-12-10(11)8-13(15-12)9-4-2-1-3-5-9/h1-8H
InChIKeySANHUCQLAMCISH-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylcyclopenta[b]thiophen-4-one?
The IUPAC name of 2-phenylcyclopenta[b]thiophen-4-one (CID 175578441) is 2-phenylcyclopenta[b]thiophen-4-one.
What is the SMILES notation for 2-phenylcyclopenta[b]thiophen-4-one?
The canonical SMILES for 2-phenylcyclopenta[b]thiophen-4-one is O=C1C=Cc2sc(-c3ccccc3)cc21.
What is the InChIKey of 2-phenylcyclopenta[b]thiophen-4-one?
The InChIKey is SANHUCQLAMCISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8OS/c14-11-6-7-12-10(11)8-13(15-12)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-phenylcyclopenta[b]thiophen-4-one?
2-phenylcyclopenta[b]thiophen-4-one has a molecular weight of 212.27 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylcyclopenta[b]thiophen-4-one is sourced from PubChem (CID 175578441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).