2-phenylethyl thiophene-2-carboxylate

C13H12O2S — CID 568932

IUPAC2-phenylethyl thiophene-2-carboxylate
SMILESO=C(OCCc1ccccc1)c1cccs1
InChIInChI=1S/C13H12O2S/c14-13(12-7-4-10-16-12)15-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2
InChIKeyMUGHIJQBDZTAIE-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.15
Rot. Bonds4

About 2-phenylethyl thiophene-2-carboxylate

2-phenylethyl thiophene-2-carboxylate (PubChem CID 568932) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-phenylethyl thiophene-2-carboxylate.

Molecular Properties

Compound Name2-phenylethyl thiophene-2-carboxylate
PubChem CID568932
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name2-phenylethyl thiophene-2-carboxylate
SMILESO=C(OCCc1ccccc1)c1cccs1
InChIInChI=1S/C13H12O2S/c14-13(12-7-4-10-16-12)15-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2
InChIKeyMUGHIJQBDZTAIE-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl thiophene-2-carboxylate?
The IUPAC name of 2-phenylethyl thiophene-2-carboxylate (CID 568932) is 2-phenylethyl thiophene-2-carboxylate.
What is the SMILES notation for 2-phenylethyl thiophene-2-carboxylate?
The canonical SMILES for 2-phenylethyl thiophene-2-carboxylate is O=C(OCCc1ccccc1)c1cccs1.
What is the InChIKey of 2-phenylethyl thiophene-2-carboxylate?
The InChIKey is MUGHIJQBDZTAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c14-13(12-7-4-10-16-12)15-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2.
What are the key properties of 2-phenylethyl thiophene-2-carboxylate?
2-phenylethyl thiophene-2-carboxylate has a molecular weight of 232.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl thiophene-2-carboxylate is sourced from PubChem (CID 568932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).