[2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate

C14H12O4S — CID 2646399

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cccs2)cc1
InChIInChI=1S/C14H12O4S/c1-17-11-6-4-10(5-7-11)12(15)9-18-14(16)13-3-2-8-19-13/h2-8H,9H2,1H3
InChIKeyGUDDVVZEKGSJLG-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.80
Rot. Bonds5

About [2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate

[2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 2646399) has the molecular formula C14H12O4S and a molecular weight of 276.31 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID2646399
Molecular FormulaC14H12O4S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2cccs2)cc1
InChIInChI=1S/C14H12O4S/c1-17-11-6-4-10(5-7-11)12(15)9-18-14(16)13-3-2-8-19-13/h2-8H,9H2,1H3
InChIKeyGUDDVVZEKGSJLG-UHFFFAOYSA-N
XLogP2.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate (CID 2646399) is [2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate is COc1ccc(C(=O)COC(=O)c2cccs2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is GUDDVVZEKGSJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4S/c1-17-11-6-4-10(5-7-11)12(15)9-18-14(16)13-3-2-8-19-13/h2-8H,9H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate?
[2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 276.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2646399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).