1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol

C11H16O2S — CID 102831550

IUPAC1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol
SMILESCc1sccc1C(O)CC1CCOC1
InChIInChI=1S/C11H16O2S/c1-8-10(3-5-14-8)11(12)6-9-2-4-13-7-9/h3,5,9,11-12H,2,4,6-7H2,1H3
InChIKeyPIRCURZUJOHZHD-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.52
Rot. Bonds3

About 1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol

1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol (PubChem CID 102831550) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol
PubChem CID102831550
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol
SMILESCc1sccc1C(O)CC1CCOC1
InChIInChI=1S/C11H16O2S/c1-8-10(3-5-14-8)11(12)6-9-2-4-13-7-9/h3,5,9,11-12H,2,4,6-7H2,1H3
InChIKeyPIRCURZUJOHZHD-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
CID 102829334
1-(2-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986373
3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842471
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-methylthiophen-3-yl)ethanol
CID 102842439
1-(2-cyclobutylphenyl)-2-(oxolan-3-yl)ethanol
CID 114602446
1-(4-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986410
1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986582
1-(4-ethylphenyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986414
1-(3-chlorothiophen-2-yl)-2-(oxan-4-yl)ethanol
CID 115789625
2-(oxolan-3-yl)-1-(thiadiazol-4-yl)ethanol
CID 130914237
1-naphthalen-2-yl-2-(oxolan-3-yl)ethanol
CID 113362057
1-(4-cyclopropyloxyphenyl)-2-(oxolan-3-yl)ethanol
CID 114519142

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol?
The IUPAC name of 1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol (CID 102831550) is 1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol?
The canonical SMILES for 1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol is Cc1sccc1C(O)CC1CCOC1.
What is the InChIKey of 1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol?
The InChIKey is PIRCURZUJOHZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-8-10(3-5-14-8)11(12)6-9-2-4-13-7-9/h3,5,9,11-12H,2,4,6-7H2,1H3.
What are the key properties of 1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol?
1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol has a molecular weight of 212.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)-2-(oxolan-3-yl)ethanol is sourced from PubChem (CID 102831550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).