2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate

C9H12O3S — CID 143684331

IUPAC2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate
SMILESCC(=O)OCCc1ccc(CO)s1
InChIInChI=1S/C9H12O3S/c1-7(11)12-5-4-8-2-3-9(6-10)13-8/h2-3,10H,4-6H2,1H3
InChIKeyQSIFQJJNCRAXQD-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.35
Rot. Bonds4

About 2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate

2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate (PubChem CID 143684331) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate
PubChem CID143684331
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate
SMILESCC(=O)OCCc1ccc(CO)s1
InChIInChI=1S/C9H12O3S/c1-7(11)12-5-4-8-2-3-9(6-10)13-8/h2-3,10H,4-6H2,1H3
InChIKeyQSIFQJJNCRAXQD-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate?
The IUPAC name of 2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate (CID 143684331) is 2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate.
What is the SMILES notation for 2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate?
The canonical SMILES for 2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate is CC(=O)OCCc1ccc(CO)s1.
What is the InChIKey of 2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate?
The InChIKey is QSIFQJJNCRAXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-7(11)12-5-4-8-2-3-9(6-10)13-8/h2-3,10H,4-6H2,1H3.
What are the key properties of 2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate?
2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate has a molecular weight of 200.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)thiophen-2-yl]ethyl acetate is sourced from PubChem (CID 143684331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).