2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol

C11H14O2S — CID 117300715

IUPAC2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol
SMILESOCCc1ccc(SC2COC2)cc1
InChIInChI=1S/C11H14O2S/c12-6-5-9-1-3-10(4-2-9)14-11-7-13-8-11/h1-4,11-12H,5-8H2
InChIKeyIVGCBYYGXQQGIL-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.71
Rot. Bonds4

About 2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol

2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol (PubChem CID 117300715) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol
PubChem CID117300715
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol
SMILESOCCc1ccc(SC2COC2)cc1
InChIInChI=1S/C11H14O2S/c12-6-5-9-1-3-10(4-2-9)14-11-7-13-8-11/h1-4,11-12H,5-8H2
InChIKeyIVGCBYYGXQQGIL-UHFFFAOYSA-N
XLogP1.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
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-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol?
The IUPAC name of 2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol (CID 117300715) is 2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol?
The canonical SMILES for 2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol is OCCc1ccc(SC2COC2)cc1.
What is the InChIKey of 2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol?
The InChIKey is IVGCBYYGXQQGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c12-6-5-9-1-3-10(4-2-9)14-11-7-13-8-11/h1-4,11-12H,5-8H2.
What are the key properties of 2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol?
2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol has a molecular weight of 210.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxetan-3-ylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 117300715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).