2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol

C10H14O2S — CID 175425789

IUPAC2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol
SMILESCc1csc(C2(CCO)COC2)c1
InChIInChI=1S/C10H14O2S/c1-8-4-9(13-5-8)10(2-3-11)6-12-7-10/h4-5,11H,2-3,6-7H2,1H3
InChIKeyMREGRKXMQFVVBB-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.71
Rot. Bonds3

About 2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol

2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol (PubChem CID 175425789) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol
PubChem CID175425789
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol
SMILESCc1csc(C2(CCO)COC2)c1
InChIInChI=1S/C10H14O2S/c1-8-4-9(13-5-8)10(2-3-11)6-12-7-10/h4-5,11H,2-3,6-7H2,1H3
InChIKeyMREGRKXMQFVVBB-UHFFFAOYSA-N
XLogP1.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol?
The IUPAC name of 2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol (CID 175425789) is 2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol.
What is the SMILES notation for 2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol?
The canonical SMILES for 2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol is Cc1csc(C2(CCO)COC2)c1.
What is the InChIKey of 2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol?
The InChIKey is MREGRKXMQFVVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-8-4-9(13-5-8)10(2-3-11)6-12-7-10/h4-5,11H,2-3,6-7H2,1H3.
What are the key properties of 2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol?
2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol has a molecular weight of 198.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylthiophen-2-yl)oxetan-3-yl]ethanol is sourced from PubChem (CID 175425789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).