phenyl thiophene-2-carboxylate

C11H8O2S — CID 573755

IUPACphenyl thiophene-2-carboxylate
SMILESO=C(Oc1ccccc1)c1cccs1
InChIInChI=1S/C11H8O2S/c12-11(10-7-4-8-14-10)13-9-5-2-1-3-6-9/h1-8H
InChIKeyBUCUTHKQTIKRHI-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.97
Rot. Bonds2

About phenyl thiophene-2-carboxylate

phenyl thiophene-2-carboxylate (PubChem CID 573755) has the molecular formula C11H8O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is phenyl thiophene-2-carboxylate.

Molecular Properties

Compound Namephenyl thiophene-2-carboxylate
PubChem CID573755
Molecular FormulaC11H8O2S
Molecular Weight204.25 g/mol
Exact Mass204.02
IUPAC Namephenyl thiophene-2-carboxylate
SMILESO=C(Oc1ccccc1)c1cccs1
InChIInChI=1S/C11H8O2S/c12-11(10-7-4-8-14-10)13-9-5-2-1-3-6-9/h1-8H
InChIKeyBUCUTHKQTIKRHI-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl thiophene-2-carboxylate?
The IUPAC name of phenyl thiophene-2-carboxylate (CID 573755) is phenyl thiophene-2-carboxylate.
What is the SMILES notation for phenyl thiophene-2-carboxylate?
The canonical SMILES for phenyl thiophene-2-carboxylate is O=C(Oc1ccccc1)c1cccs1.
What is the InChIKey of phenyl thiophene-2-carboxylate?
The InChIKey is BUCUTHKQTIKRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2S/c12-11(10-7-4-8-14-10)13-9-5-2-1-3-6-9/h1-8H.
What are the key properties of phenyl thiophene-2-carboxylate?
phenyl thiophene-2-carboxylate has a molecular weight of 204.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl thiophene-2-carboxylate is sourced from PubChem (CID 573755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).