2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate

C10H14O3S — CID 58168497

IUPAC2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate
SMILESCC(=O)OCCc1cc(CCO)cs1
InChIInChI=1S/C10H14O3S/c1-8(12)13-5-3-10-6-9(2-4-11)7-14-10/h6-7,11H,2-5H2,1H3
InChIKeyDQERZKGUCONSEO-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.39
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate

2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate (PubChem CID 58168497) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate
PubChem CID58168497
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate
SMILESCC(=O)OCCc1cc(CCO)cs1
InChIInChI=1S/C10H14O3S/c1-8(12)13-5-3-10-6-9(2-4-11)7-14-10/h6-7,11H,2-5H2,1H3
InChIKeyDQERZKGUCONSEO-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate?
The IUPAC name of 2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate (CID 58168497) is 2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate?
The canonical SMILES for 2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate is CC(=O)OCCc1cc(CCO)cs1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate?
The InChIKey is DQERZKGUCONSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-8(12)13-5-3-10-6-9(2-4-11)7-14-10/h6-7,11H,2-5H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate?
2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate has a molecular weight of 214.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)thiophen-2-yl]ethyl acetate is sourced from PubChem (CID 58168497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).