2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol

C8H10O2S — CID 90687550

IUPAC2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol
SMILESOCC=c1ccsc1=CCO
InChIInChI=1S/C8H10O2S/c9-4-1-7-3-6-11-8(7)2-5-10/h1-3,6,9-10H,4-5H2
InChIKeyTWDGBHPZJQROAR-UHFFFAOYSA-N
MW170.23 g/mol
LogP-0.71
Rot. Bonds2

About 2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol

2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol (PubChem CID 90687550) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol
PubChem CID90687550
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol
SMILESOCC=c1ccsc1=CCO
InChIInChI=1S/C8H10O2S/c9-4-1-7-3-6-11-8(7)2-5-10/h1-3,6,9-10H,4-5H2
InChIKeyTWDGBHPZJQROAR-UHFFFAOYSA-N
XLogP-0.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol?
The IUPAC name of 2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol (CID 90687550) is 2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol is OCC=c1ccsc1=CCO.
What is the InChIKey of 2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol?
The InChIKey is TWDGBHPZJQROAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c9-4-1-7-3-6-11-8(7)2-5-10/h1-3,6,9-10H,4-5H2.
What are the key properties of 2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol?
2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol has a molecular weight of 170.23 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylidene)thiophen-3-ylidene]ethanol is sourced from PubChem (CID 90687550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).