2-ethyl-3-propoxythiophene

C9H14OS — CID 138534180

IUPAC2-ethyl-3-propoxythiophene
SMILESCCCOc1ccsc1CC
InChIInChI=1S/C9H14OS/c1-3-6-10-8-5-7-11-9(8)4-2/h5,7H,3-4,6H2,1-2H3
InChIKeyJBYRTROJNXIMKC-UHFFFAOYSA-N
MW170.28 g/mol
LogP3.10
Rot. Bonds4

About 2-ethyl-3-propoxythiophene

2-ethyl-3-propoxythiophene (PubChem CID 138534180) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-ethyl-3-propoxythiophene.

Molecular Properties

Compound Name2-ethyl-3-propoxythiophene
PubChem CID138534180
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2-ethyl-3-propoxythiophene
SMILESCCCOc1ccsc1CC
InChIInChI=1S/C9H14OS/c1-3-6-10-8-5-7-11-9(8)4-2/h5,7H,3-4,6H2,1-2H3
InChIKeyJBYRTROJNXIMKC-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-propoxythiophene?
The IUPAC name of 2-ethyl-3-propoxythiophene (CID 138534180) is 2-ethyl-3-propoxythiophene.
What is the SMILES notation for 2-ethyl-3-propoxythiophene?
The canonical SMILES for 2-ethyl-3-propoxythiophene is CCCOc1ccsc1CC.
What is the InChIKey of 2-ethyl-3-propoxythiophene?
The InChIKey is JBYRTROJNXIMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-3-6-10-8-5-7-11-9(8)4-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-ethyl-3-propoxythiophene?
2-ethyl-3-propoxythiophene has a molecular weight of 170.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-propoxythiophene is sourced from PubChem (CID 138534180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).