2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol

C8H12O3S — CID 70063345

IUPAC2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol
SMILESCOC(CO)c1ccc(CO)s1
InChIInChI=1S/C8H12O3S/c1-11-7(5-10)8-3-2-6(4-9)12-8/h2-3,7,9-10H,4-5H2,1H3
InChIKeyIPLRXQWBTBDEGO-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.92
Rot. Bonds4

About 2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol

2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol (PubChem CID 70063345) has the molecular formula C8H12O3S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol
PubChem CID70063345
Molecular FormulaC8H12O3S
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Name2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol
SMILESCOC(CO)c1ccc(CO)s1
InChIInChI=1S/C8H12O3S/c1-11-7(5-10)8-3-2-6(4-9)12-8/h2-3,7,9-10H,4-5H2,1H3
InChIKeyIPLRXQWBTBDEGO-UHFFFAOYSA-N
XLogP0.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol?
The IUPAC name of 2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol (CID 70063345) is 2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol.
What is the SMILES notation for 2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol?
The canonical SMILES for 2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol is COC(CO)c1ccc(CO)s1.
What is the InChIKey of 2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol?
The InChIKey is IPLRXQWBTBDEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3S/c1-11-7(5-10)8-3-2-6(4-9)12-8/h2-3,7,9-10H,4-5H2,1H3.
What are the key properties of 2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol?
2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol has a molecular weight of 188.25 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)thiophen-2-yl]-2-methoxyethanol is sourced from PubChem (CID 70063345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).