2-(2-phenylethoxy)thiophene

C12H12OS — CID 102476509

IUPAC2-(2-phenylethoxy)thiophene
SMILESc1ccc(CCOc2cccs2)cc1
InChIInChI=1S/C12H12OS/c1-2-5-11(6-3-1)8-9-13-12-7-4-10-14-12/h1-7,10H,8-9H2
InChIKeyAHYDHBYIYRCSIW-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.37
Rot. Bonds4

About 2-(2-phenylethoxy)thiophene

2-(2-phenylethoxy)thiophene (PubChem CID 102476509) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-(2-phenylethoxy)thiophene.

Molecular Properties

Compound Name2-(2-phenylethoxy)thiophene
PubChem CID102476509
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name2-(2-phenylethoxy)thiophene
SMILESc1ccc(CCOc2cccs2)cc1
InChIInChI=1S/C12H12OS/c1-2-5-11(6-3-1)8-9-13-12-7-4-10-14-12/h1-7,10H,8-9H2
InChIKeyAHYDHBYIYRCSIW-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethoxy)thiophene?
The IUPAC name of 2-(2-phenylethoxy)thiophene (CID 102476509) is 2-(2-phenylethoxy)thiophene.
What is the SMILES notation for 2-(2-phenylethoxy)thiophene?
The canonical SMILES for 2-(2-phenylethoxy)thiophene is c1ccc(CCOc2cccs2)cc1.
What is the InChIKey of 2-(2-phenylethoxy)thiophene?
The InChIKey is AHYDHBYIYRCSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-2-5-11(6-3-1)8-9-13-12-7-4-10-14-12/h1-7,10H,8-9H2.
What are the key properties of 2-(2-phenylethoxy)thiophene?
2-(2-phenylethoxy)thiophene has a molecular weight of 204.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxy)thiophene is sourced from PubChem (CID 102476509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).