3-(2-phenylmethoxyethyl)thiophene

C13H14OS — CID 14611970

IUPAC3-(2-phenylmethoxyethyl)thiophene
SMILESc1ccc(COCCc2ccsc2)cc1
InChIInChI=1S/C13H14OS/c1-2-4-12(5-3-1)10-14-8-6-13-7-9-15-11-13/h1-5,7,9,11H,6,8,10H2
InChIKeyKGSQCOKRFKQPEN-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.51
Rot. Bonds5

About 3-(2-phenylmethoxyethyl)thiophene

3-(2-phenylmethoxyethyl)thiophene (PubChem CID 14611970) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-(2-phenylmethoxyethyl)thiophene.

Molecular Properties

Compound Name3-(2-phenylmethoxyethyl)thiophene
PubChem CID14611970
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name3-(2-phenylmethoxyethyl)thiophene
SMILESc1ccc(COCCc2ccsc2)cc1
InChIInChI=1S/C13H14OS/c1-2-4-12(5-3-1)10-14-8-6-13-7-9-15-11-13/h1-5,7,9,11H,6,8,10H2
InChIKeyKGSQCOKRFKQPEN-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylmethoxyethyl)thiophene?
The IUPAC name of 3-(2-phenylmethoxyethyl)thiophene (CID 14611970) is 3-(2-phenylmethoxyethyl)thiophene.
What is the SMILES notation for 3-(2-phenylmethoxyethyl)thiophene?
The canonical SMILES for 3-(2-phenylmethoxyethyl)thiophene is c1ccc(COCCc2ccsc2)cc1.
What is the InChIKey of 3-(2-phenylmethoxyethyl)thiophene?
The InChIKey is KGSQCOKRFKQPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-2-4-12(5-3-1)10-14-8-6-13-7-9-15-11-13/h1-5,7,9,11H,6,8,10H2.
What are the key properties of 3-(2-phenylmethoxyethyl)thiophene?
3-(2-phenylmethoxyethyl)thiophene has a molecular weight of 218.32 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylmethoxyethyl)thiophene is sourced from PubChem (CID 14611970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).