3-phenyl-1-thiophen-2-ylprop-2-en-1-one

C13H10OS — CID 19891

IUPAC3-phenyl-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cccs1
InChIInChI=1S/C13H10OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-10H
InChIKeyDDNPADUKGZMCHV-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.64
Rot. Bonds3

About 3-phenyl-1-thiophen-2-ylprop-2-en-1-one

3-phenyl-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 19891) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-phenyl-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-phenyl-1-thiophen-2-ylprop-2-en-1-one
PubChem CID19891
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name3-phenyl-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cccs1
InChIInChI=1S/C13H10OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-10H
InChIKeyDDNPADUKGZMCHV-UHFFFAOYSA-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 3-phenyl-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of 3-phenyl-1-thiophen-2-ylprop-2-en-1-one (CID 19891) is 3-phenyl-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-phenyl-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for 3-phenyl-1-thiophen-2-ylprop-2-en-1-one is O=C(C=Cc1ccccc1)c1cccs1.
What is the InChIKey of 3-phenyl-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is DDNPADUKGZMCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS/c14-12(13-7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-10H.
What are the key properties of 3-phenyl-1-thiophen-2-ylprop-2-en-1-one?
3-phenyl-1-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 3-phenyl-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 19891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).