2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol

C8H12O3S — CID 131968527

IUPAC2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol
SMILESOCCc1ccc(CC(O)O)s1
InChIInChI=1S/C8H12O3S/c9-4-3-6-1-2-7(12-6)5-8(10)11/h1-2,8-11H,3-5H2
InChIKeyKCQZPUDIYONPFI-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.14
Rot. Bonds4

About 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol

2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol (PubChem CID 131968527) has the molecular formula C8H12O3S and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol.

Molecular Properties

Compound Name2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol
PubChem CID131968527
Molecular FormulaC8H12O3S
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Name2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol
SMILESOCCc1ccc(CC(O)O)s1
InChIInChI=1S/C8H12O3S/c9-4-3-6-1-2-7(12-6)5-8(10)11/h1-2,8-11H,3-5H2
InChIKeyKCQZPUDIYONPFI-UHFFFAOYSA-N
XLogP0.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[5-(trifluoromethyl)thiophen-2-yl]ethanol
CID 83674797
5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol
CID 143591547
(2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol
CID 15156705
methyl 5-(2-hydroxyethyl)thiophene-2-carboxylate
CID 10845237
2,5-dipropylthiophene
CID 587485
1-(5-methylthiophen-2-yl)propan-2-ol
CID 13111508
2-hydroxyethyl-[2-(5-iodothiophen-2-yl)ethyl]-dimethylazanium
CID 137375786
4-(5-chlorothiophen-2-yl)butane-1,2-diol
CID 83934930
5-(2-hydroxyethyl)-N-(1,2,4-triazin-3-yl)thiophene-2-sulfonamide
CID 114135529
1-(5-ethylthiophen-2-yl)-4-pyridin-4-ylbutan-2-ol
CID 105087600
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
2-[5-[4-[5-(2-aminoethyl)thiophen-2-yl]butyl]thiophen-2-yl]ethanamine
CID 170868986

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol?
The IUPAC name of 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol (CID 131968527) is 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol.
What is the SMILES notation for 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol?
The canonical SMILES for 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol is OCCc1ccc(CC(O)O)s1.
What is the InChIKey of 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol?
The InChIKey is KCQZPUDIYONPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3S/c9-4-3-6-1-2-7(12-6)5-8(10)11/h1-2,8-11H,3-5H2.
What are the key properties of 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol?
2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol has a molecular weight of 188.25 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethyl)thiophen-2-yl]ethane-1,1-diol is sourced from PubChem (CID 131968527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).