2-ethoxy-4-phenylthiophene

C12H12OS — CID 15654344

IUPAC2-ethoxy-4-phenylthiophene
SMILESCCOc1cc(-c2ccccc2)cs1
InChIInChI=1S/C12H12OS/c1-2-13-12-8-11(9-14-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyJRUWBLSQXDDAIH-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.81
Rot. Bonds3

About 2-ethoxy-4-phenylthiophene

2-ethoxy-4-phenylthiophene (PubChem CID 15654344) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-ethoxy-4-phenylthiophene.

Molecular Properties

Compound Name2-ethoxy-4-phenylthiophene
PubChem CID15654344
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name2-ethoxy-4-phenylthiophene
SMILESCCOc1cc(-c2ccccc2)cs1
InChIInChI=1S/C12H12OS/c1-2-13-12-8-11(9-14-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyJRUWBLSQXDDAIH-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-phenylthiophene?
The IUPAC name of 2-ethoxy-4-phenylthiophene (CID 15654344) is 2-ethoxy-4-phenylthiophene.
What is the SMILES notation for 2-ethoxy-4-phenylthiophene?
The canonical SMILES for 2-ethoxy-4-phenylthiophene is CCOc1cc(-c2ccccc2)cs1.
What is the InChIKey of 2-ethoxy-4-phenylthiophene?
The InChIKey is JRUWBLSQXDDAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-2-13-12-8-11(9-14-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 2-ethoxy-4-phenylthiophene?
2-ethoxy-4-phenylthiophene has a molecular weight of 204.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-phenylthiophene is sourced from PubChem (CID 15654344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).