2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol

C8H12O3S — CID 131968527

IUPAC2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol
SMILESOCCc1ccc(CC(O)O)s1
InChIInChI=1S/C8H12O3S/c9-4-3-6-1-2-7(12-6)5-8(10)11/h1-2,8-11H,3-5H2
InChIKeyKCQZPUDIYONPFI-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.14
Rot. Bonds4

About 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol

2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol (PubChem CID 131968527) has the molecular formula C8H12O3S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol
PubChem CID131968527
Molecular FormulaC8H12O3S
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Name2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol
SMILESOCCc1ccc(CC(O)O)s1
InChIInChI=1S/C8H12O3S/c9-4-3-6-1-2-7(12-6)5-8(10)11/h1-2,8-11H,3-5H2
InChIKeyKCQZPUDIYONPFI-UHFFFAOYSA-N
XLogP0.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol 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-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol?
The IUPAC name of 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol (CID 131968527) is 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol?
The canonical SMILES for 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol is OCCc1ccc(CC(O)O)s1.
What is the InChIKey of 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol?
The InChIKey is KCQZPUDIYONPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3S/c9-4-3-6-1-2-7(12-6)5-8(10)11/h1-2,8-11H,3-5H2.
What are the key properties of 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol?
2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol has a molecular weight of 188.25 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol is sourced from PubChem (CID 131968527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).