(E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one

C13H10OS — CID 5376088

IUPAC(E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)c1ccccc1
InChIInChI=1S/C13H10OS/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-10H/b9-8+
InChIKeyVLDDOTFTMZJIEM-CMDGGOBGSA-N
MW214.29 g/mol
LogP3.64
Rot. Bonds3

About (E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one

(E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 5376088) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is (E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one
PubChem CID5376088
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name(E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)c1ccccc1
InChIInChI=1S/C13H10OS/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-10H/b9-8+
InChIKeyVLDDOTFTMZJIEM-CMDGGOBGSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.64
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)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one (CID 5376088) is (E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one is O=C(/C=C/c1cccs1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is VLDDOTFTMZJIEM-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H10OS/c14-13(11-5-2-1-3-6-11)9-8-12-7-4-10-15-12/h1-10H/b9-8+.
What are the key properties of (E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 214.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 5376088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).