2-propoxy-1-thiophen-3-ylethanol

C9H14O2S — CID 65099824

IUPAC2-propoxy-1-thiophen-3-ylethanol
SMILESCCCOCC(O)c1ccsc1
InChIInChI=1S/C9H14O2S/c1-2-4-11-6-9(10)8-3-5-12-7-8/h3,5,7,9-10H,2,4,6H2,1H3
InChIKeyHQAUQNLJQOBUKS-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.21
Rot. Bonds5

About 2-propoxy-1-thiophen-3-ylethanol

2-propoxy-1-thiophen-3-ylethanol (PubChem CID 65099824) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-propoxy-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-propoxy-1-thiophen-3-ylethanol
PubChem CID65099824
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name2-propoxy-1-thiophen-3-ylethanol
SMILESCCCOCC(O)c1ccsc1
InChIInChI=1S/C9H14O2S/c1-2-4-11-6-9(10)8-3-5-12-7-8/h3,5,7,9-10H,2,4,6H2,1H3
InChIKeyHQAUQNLJQOBUKS-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-propoxy-1-thiophen-3-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1-thiophen-3-ylethanol?
The IUPAC name of 2-propoxy-1-thiophen-3-ylethanol (CID 65099824) is 2-propoxy-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-propoxy-1-thiophen-3-ylethanol?
The canonical SMILES for 2-propoxy-1-thiophen-3-ylethanol is CCCOCC(O)c1ccsc1.
What is the InChIKey of 2-propoxy-1-thiophen-3-ylethanol?
The InChIKey is HQAUQNLJQOBUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-2-4-11-6-9(10)8-3-5-12-7-8/h3,5,7,9-10H,2,4,6H2,1H3.
What are the key properties of 2-propoxy-1-thiophen-3-ylethanol?
2-propoxy-1-thiophen-3-ylethanol has a molecular weight of 186.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-thiophen-3-ylethanol is sourced from PubChem (CID 65099824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).