2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol

C10H16O2S — CID 105102674

IUPAC2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol
SMILESCC(C)(C)OCC(O)c1ccsc1
InChIInChI=1S/C10H16O2S/c1-10(2,3)12-6-9(11)8-4-5-13-7-8/h4-5,7,9,11H,6H2,1-3H3
InChIKeyWQHUWSOEOUOQRJ-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.60
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol

2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol (PubChem CID 105102674) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol
PubChem CID105102674
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol
SMILESCC(C)(C)OCC(O)c1ccsc1
InChIInChI=1S/C10H16O2S/c1-10(2,3)12-6-9(11)8-4-5-13-7-8/h4-5,7,9,11H,6H2,1-3H3
InChIKeyWQHUWSOEOUOQRJ-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethyl]hydrazine
CID 105312095
3-methoxy-1-thiophen-3-ylpropan-1-ol
CID 62608736
2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
CID 112605150
2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66065568
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
CID 64565518
5-methyl-1-thiophen-3-ylhexan-1-ol
CID 83158063
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine
CID 112568339
1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105113091
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-3-methoxypropan-2-ol
CID 106435290
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
3-amino-1-thiophen-3-ylpropan-1-ol
CID 65185005
1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine
CID 105137519

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol (CID 105102674) is 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol is CC(C)(C)OCC(O)c1ccsc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol?
The InChIKey is WQHUWSOEOUOQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-10(2,3)12-6-9(11)8-4-5-13-7-8/h4-5,7,9,11H,6H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol?
2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol has a molecular weight of 200.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-1-thiophen-3-ylethanol is sourced from PubChem (CID 105102674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).