2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate

C14H14O4S — CID 2095591

IUPAC2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate
SMILESCOc1ccc(OCCOC(=O)c2cccs2)cc1
InChIInChI=1S/C14H14O4S/c1-16-11-4-6-12(7-5-11)17-8-9-18-14(15)13-3-2-10-19-13/h2-7,10H,8-9H2,1H3
InChIKeyWWECCYNEBMTHCK-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.99
Rot. Bonds6

About 2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate

2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate (PubChem CID 2095591) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate
PubChem CID2095591
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate
SMILESCOc1ccc(OCCOC(=O)c2cccs2)cc1
InChIInChI=1S/C14H14O4S/c1-16-11-4-6-12(7-5-11)17-8-9-18-14(15)13-3-2-10-19-13/h2-7,10H,8-9H2,1H3
InChIKeyWWECCYNEBMTHCK-UHFFFAOYSA-N
XLogP2.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate (CID 2095591) is 2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate is COc1ccc(OCCOC(=O)c2cccs2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate?
The InChIKey is WWECCYNEBMTHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-16-11-4-6-12(7-5-11)17-8-9-18-14(15)13-3-2-10-19-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate?
2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl thiophene-2-carboxylate is sourced from PubChem (CID 2095591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).