[2-(oxetan-3-ylsulfanyl)phenyl]methanol

C10H12O2S — CID 79333918

IUPAC[2-(oxetan-3-ylsulfanyl)phenyl]methanol
SMILESOCc1ccccc1SC1COC1
InChIInChI=1S/C10H12O2S/c11-5-8-3-1-2-4-10(8)13-9-6-12-7-9/h1-4,9,11H,5-7H2
InChIKeyDPDXPRQLEXTPGE-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.67
Rot. Bonds3

About [2-(oxetan-3-ylsulfanyl)phenyl]methanol

[2-(oxetan-3-ylsulfanyl)phenyl]methanol (PubChem CID 79333918) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is [2-(oxetan-3-ylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(oxetan-3-ylsulfanyl)phenyl]methanol
PubChem CID79333918
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name[2-(oxetan-3-ylsulfanyl)phenyl]methanol
SMILESOCc1ccccc1SC1COC1
InChIInChI=1S/C10H12O2S/c11-5-8-3-1-2-4-10(8)13-9-6-12-7-9/h1-4,9,11H,5-7H2
InChIKeyDPDXPRQLEXTPGE-UHFFFAOYSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(oxetan-3-ylsulfanyl)phenyl]methanol?
The IUPAC name of [2-(oxetan-3-ylsulfanyl)phenyl]methanol (CID 79333918) is [2-(oxetan-3-ylsulfanyl)phenyl]methanol.
What is the SMILES notation for [2-(oxetan-3-ylsulfanyl)phenyl]methanol?
The canonical SMILES for [2-(oxetan-3-ylsulfanyl)phenyl]methanol is OCc1ccccc1SC1COC1.
What is the InChIKey of [2-(oxetan-3-ylsulfanyl)phenyl]methanol?
The InChIKey is DPDXPRQLEXTPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c11-5-8-3-1-2-4-10(8)13-9-6-12-7-9/h1-4,9,11H,5-7H2.
What are the key properties of [2-(oxetan-3-ylsulfanyl)phenyl]methanol?
[2-(oxetan-3-ylsulfanyl)phenyl]methanol has a molecular weight of 196.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxetan-3-ylsulfanyl)phenyl]methanol is sourced from PubChem (CID 79333918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).