2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol

C10H18O2S — CID 70502216

IUPAC2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol
SMILESCCC1=CC=CS1(CCO)CCO
InChIInChI=1S/C10H18O2S/c1-2-10-4-3-7-13(10,8-5-11)9-6-12/h3-4,7,11-12H,2,5-6,8-9H2,1H3
InChIKeySIXDLZYHHKFGAD-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.60
Rot. Bonds5

About 2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol

2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol (PubChem CID 70502216) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol
PubChem CID70502216
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol
SMILESCCC1=CC=CS1(CCO)CCO
InChIInChI=1S/C10H18O2S/c1-2-10-4-3-7-13(10,8-5-11)9-6-12/h3-4,7,11-12H,2,5-6,8-9H2,1H3
InChIKeySIXDLZYHHKFGAD-UHFFFAOYSA-N
XLogP1.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol?
The IUPAC name of 2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol (CID 70502216) is 2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol.
What is the SMILES notation for 2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol?
The canonical SMILES for 2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol is CCC1=CC=CS1(CCO)CCO.
What is the InChIKey of 2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol?
The InChIKey is SIXDLZYHHKFGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-2-10-4-3-7-13(10,8-5-11)9-6-12/h3-4,7,11-12H,2,5-6,8-9H2,1H3.
What are the key properties of 2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol?
2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol has a molecular weight of 202.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-1-(2-hydroxyethyl)thiophen-1-yl]ethanol is sourced from PubChem (CID 70502216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).