ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate

C13H11ClO2S — CID 2823745

IUPACethyl 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H11ClO2S/c1-2-16-13(15)12-8-7-11(17-12)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyTUTOPZOWXAAHEW-UHFFFAOYSA-N
MW266.75 g/mol
LogP4.25
Rot. Bonds3

About ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate

ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate (PubChem CID 2823745) has the molecular formula C13H11ClO2S and a molecular weight of 266.75 g/mol. Its IUPAC name is ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-chlorophenyl)thiophene-2-carboxylate
PubChem CID2823745
Molecular FormulaC13H11ClO2S
Molecular Weight266.75 g/mol
Exact Mass266.02
IUPAC Nameethyl 5-(4-chlorophenyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H11ClO2S/c1-2-16-13(15)12-8-7-11(17-12)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyTUTOPZOWXAAHEW-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate (CID 2823745) is ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate is CCOC(=O)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate?
The InChIKey is TUTOPZOWXAAHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO2S/c1-2-16-13(15)12-8-7-11(17-12)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate?
ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate has a molecular weight of 266.75 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-chlorophenyl)thiophene-2-carboxylate is sourced from PubChem (CID 2823745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).