2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol

C13H20O2S — CID 65159331

IUPAC2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2cccs2)C1C
InChIInChI=1S/C13H20O2S/c1-8-9(2)15-10(3)13(8)12(14)7-11-5-4-6-16-11/h4-6,8-10,12-14H,7H2,1-3H3
InChIKeyZCBVYIWQDUUVGM-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.71
Rot. Bonds3

About 2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol

2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol (PubChem CID 65159331) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol
PubChem CID65159331
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol
SMILESCC1OC(C)C(C(O)Cc2cccs2)C1C
InChIInChI=1S/C13H20O2S/c1-8-9(2)15-10(3)13(8)12(14)7-11-5-4-6-16-11/h4-6,8-10,12-14H,7H2,1-3H3
InChIKeyZCBVYIWQDUUVGM-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-adamantyl)-2-thiophen-2-ylethanol
CID 81095479
(1S)-1-[(2S)-oxiran-2-yl]-2-thiophen-2-ylethanol
CID 101201704
2-[3-(trifluoromethyl)phenyl]-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115782694
2-(2-chloro-4-fluorophenyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 115785318
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
1-[(3R)-pyrrolidin-3-yl]-2-thiophen-2-ylethanol
CID 164654563
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
1-(diethylamino)-3-thiophen-2-ylpropan-2-ol
CID 121219027

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The IUPAC name of 2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol (CID 65159331) is 2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The canonical SMILES for 2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol is CC1OC(C)C(C(O)Cc2cccs2)C1C.
What is the InChIKey of 2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
The InChIKey is ZCBVYIWQDUUVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-8-9(2)15-10(3)13(8)12(14)7-11-5-4-6-16-11/h4-6,8-10,12-14H,7H2,1-3H3.
What are the key properties of 2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol?
2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol has a molecular weight of 240.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanol is sourced from PubChem (CID 65159331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).