1-phenyl-2-thiophen-3-ylpropan-1-one

C13H12OS — CID 57354998

IUPAC1-phenyl-2-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)c1ccccc1)c1ccsc1
InChIInChI=1S/C13H12OS/c1-10(12-7-8-15-9-12)13(14)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyIAHNFQYFPIRIES-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.73
Rot. Bonds3

About 1-phenyl-2-thiophen-3-ylpropan-1-one

1-phenyl-2-thiophen-3-ylpropan-1-one (PubChem CID 57354998) has the molecular formula C13H12OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-phenyl-2-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-phenyl-2-thiophen-3-ylpropan-1-one
PubChem CID57354998
Molecular FormulaC13H12OS
Molecular Weight216.31 g/mol
Exact Mass216.06
IUPAC Name1-phenyl-2-thiophen-3-ylpropan-1-one
SMILESCC(C(=O)c1ccccc1)c1ccsc1
InChIInChI=1S/C13H12OS/c1-10(12-7-8-15-9-12)13(14)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyIAHNFQYFPIRIES-UHFFFAOYSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-phenyl-2-thiophen-3-ylpropan-1-one (CID 57354998) is 1-phenyl-2-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-phenyl-2-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-phenyl-2-thiophen-3-ylpropan-1-one is CC(C(=O)c1ccccc1)c1ccsc1.
What is the InChIKey of 1-phenyl-2-thiophen-3-ylpropan-1-one?
The InChIKey is IAHNFQYFPIRIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OS/c1-10(12-7-8-15-9-12)13(14)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 1-phenyl-2-thiophen-3-ylpropan-1-one?
1-phenyl-2-thiophen-3-ylpropan-1-one has a molecular weight of 216.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 57354998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).