ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate

C14H14O3S — CID 12723730

IUPACethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate
SMILESCCOC(=O)C(O)(c1ccccc1)c1cccs1
InChIInChI=1S/C14H14O3S/c1-2-17-13(15)14(16,12-9-6-10-18-12)11-7-4-3-5-8-11/h3-10,16H,2H2,1H3
InChIKeyYGGQOQVOGNCEBH-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.55
Rot. Bonds4

About ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate

ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate (PubChem CID 12723730) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate
PubChem CID12723730
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Nameethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate
SMILESCCOC(=O)C(O)(c1ccccc1)c1cccs1
InChIInChI=1S/C14H14O3S/c1-2-17-13(15)14(16,12-9-6-10-18-12)11-7-4-3-5-8-11/h3-10,16H,2H2,1H3
InChIKeyYGGQOQVOGNCEBH-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate?
The IUPAC name of ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate (CID 12723730) is ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate.
What is the SMILES notation for ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate?
The canonical SMILES for ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate is CCOC(=O)C(O)(c1ccccc1)c1cccs1.
What is the InChIKey of ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate?
The InChIKey is YGGQOQVOGNCEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-2-17-13(15)14(16,12-9-6-10-18-12)11-7-4-3-5-8-11/h3-10,16H,2H2,1H3.
What are the key properties of ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate?
ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate has a molecular weight of 262.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate is sourced from PubChem (CID 12723730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).