2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol

C10H10O2S2 — CID 126703946

IUPAC2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol
SMILESCC(O)c1ccsc1-c1sccc1O
InChIInChI=1S/C10H10O2S2/c1-6(11)7-2-4-13-9(7)10-8(12)3-5-14-10/h2-6,11-12H,1H3
InChIKeyRXOGEOMFJKDUGR-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.24
Rot. Bonds2

About 2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol

2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol (PubChem CID 126703946) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol
PubChem CID126703946
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol
SMILESCC(O)c1ccsc1-c1sccc1O
InChIInChI=1S/C10H10O2S2/c1-6(11)7-2-4-13-9(7)10-8(12)3-5-14-10/h2-6,11-12H,1H3
InChIKeyRXOGEOMFJKDUGR-UHFFFAOYSA-N
XLogP3.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol?
The IUPAC name of 2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol (CID 126703946) is 2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol?
The canonical SMILES for 2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol is CC(O)c1ccsc1-c1sccc1O.
What is the InChIKey of 2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol?
The InChIKey is RXOGEOMFJKDUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-6(11)7-2-4-13-9(7)10-8(12)3-5-14-10/h2-6,11-12H,1H3.
What are the key properties of 2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol?
2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol has a molecular weight of 226.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)thiophen-2-yl]thiophen-3-ol is sourced from PubChem (CID 126703946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).