(E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one

C15H14OS — CID 156588927

IUPAC(E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one
SMILESO=C(/C=C/CCc1ccccc1)c1cccs1
InChIInChI=1S/C15H14OS/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-3,5-8,10-12H,4,9H2/b10-5+
InChIKeyXUIAIACHIPOOHR-BJMVGYQFSA-N
MW242.34 g/mol
LogP4.12
Rot. Bonds5

About (E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one

(E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one (PubChem CID 156588927) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is (E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one
PubChem CID156588927
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name(E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one
SMILESO=C(/C=C/CCc1ccccc1)c1cccs1
InChIInChI=1S/C15H14OS/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-3,5-8,10-12H,4,9H2/b10-5+
InChIKeyXUIAIACHIPOOHR-BJMVGYQFSA-N
XLogP4.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one?
The IUPAC name of (E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one (CID 156588927) is (E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one.
What is the SMILES notation for (E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one?
The canonical SMILES for (E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one is O=C(/C=C/CCc1ccccc1)c1cccs1.
What is the InChIKey of (E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one?
The InChIKey is XUIAIACHIPOOHR-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H14OS/c16-14(15-11-6-12-17-15)10-5-4-9-13-7-2-1-3-8-13/h1-3,5-8,10-12H,4,9H2/b10-5+.
What are the key properties of (E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one?
(E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one has a molecular weight of 242.34 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-phenyl-1-thiophen-2-ylpent-2-en-1-one is sourced from PubChem (CID 156588927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).