phenacyl 2-thiophen-3-ylacetate

C14H12O3S — CID 2357912

IUPACphenacyl 2-thiophen-3-ylacetate
SMILESO=C(Cc1ccsc1)OCC(=O)c1ccccc1
InChIInChI=1S/C14H12O3S/c15-13(12-4-2-1-3-5-12)9-17-14(16)8-11-6-7-18-10-11/h1-7,10H,8-9H2
InChIKeyXAYDVDCNLFZPLM-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.72
Rot. Bonds5

About phenacyl 2-thiophen-3-ylacetate

phenacyl 2-thiophen-3-ylacetate (PubChem CID 2357912) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is phenacyl 2-thiophen-3-ylacetate.

Molecular Properties

Compound Namephenacyl 2-thiophen-3-ylacetate
PubChem CID2357912
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Namephenacyl 2-thiophen-3-ylacetate
SMILESO=C(Cc1ccsc1)OCC(=O)c1ccccc1
InChIInChI=1S/C14H12O3S/c15-13(12-4-2-1-3-5-12)9-17-14(16)8-11-6-7-18-10-11/h1-7,10H,8-9H2
InChIKeyXAYDVDCNLFZPLM-UHFFFAOYSA-N
XLogP2.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenacyl 2-thiophen-3-ylacetate?
The IUPAC name of phenacyl 2-thiophen-3-ylacetate (CID 2357912) is phenacyl 2-thiophen-3-ylacetate.
What is the SMILES notation for phenacyl 2-thiophen-3-ylacetate?
The canonical SMILES for phenacyl 2-thiophen-3-ylacetate is O=C(Cc1ccsc1)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-thiophen-3-ylacetate?
The InChIKey is XAYDVDCNLFZPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c15-13(12-4-2-1-3-5-12)9-17-14(16)8-11-6-7-18-10-11/h1-7,10H,8-9H2.
What are the key properties of phenacyl 2-thiophen-3-ylacetate?
phenacyl 2-thiophen-3-ylacetate has a molecular weight of 260.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-thiophen-3-ylacetate is sourced from PubChem (CID 2357912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).