(2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate

C15H14O4S — CID 39199725

IUPAC(2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate
SMILESCCOc1cc(C=O)ccc1OC(=O)Cc1cccs1
InChIInChI=1S/C15H14O4S/c1-2-18-14-8-11(10-16)5-6-13(14)19-15(17)9-12-4-3-7-20-12/h3-8,10H,2,9H2,1H3
InChIKeyONLZASLAULLEJS-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.11
Rot. Bonds6

About (2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate

(2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate (PubChem CID 39199725) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is (2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name(2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate
PubChem CID39199725
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name(2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate
SMILESCCOc1cc(C=O)ccc1OC(=O)Cc1cccs1
InChIInChI=1S/C15H14O4S/c1-2-18-14-8-11(10-16)5-6-13(14)19-15(17)9-12-4-3-7-20-12/h3-8,10H,2,9H2,1H3
InChIKeyONLZASLAULLEJS-UHFFFAOYSA-N
XLogP3.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate?
The IUPAC name of (2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate (CID 39199725) is (2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate.
What is the SMILES notation for (2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate?
The canonical SMILES for (2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate is CCOc1cc(C=O)ccc1OC(=O)Cc1cccs1.
What is the InChIKey of (2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate?
The InChIKey is ONLZASLAULLEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-2-18-14-8-11(10-16)5-6-13(14)19-15(17)9-12-4-3-7-20-12/h3-8,10H,2,9H2,1H3.
What are the key properties of (2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate?
(2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate has a molecular weight of 290.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-4-formylphenyl) 2-thiophen-2-ylacetate is sourced from PubChem (CID 39199725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).