2-(oxetan-3-ylsulfanyl)phenol

C9H10O2S — CID 84658613

IUPAC2-(oxetan-3-ylsulfanyl)phenol
SMILESOc1ccccc1SC1COC1
InChIInChI=1S/C9H10O2S/c10-8-3-1-2-4-9(8)12-7-5-11-6-7/h1-4,7,10H,5-6H2
InChIKeyWQSOGPJOIUUFJA-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.88
Rot. Bonds2

About 2-(oxetan-3-ylsulfanyl)phenol

2-(oxetan-3-ylsulfanyl)phenol (PubChem CID 84658613) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-(oxetan-3-ylsulfanyl)phenol.

Molecular Properties

Compound Name2-(oxetan-3-ylsulfanyl)phenol
PubChem CID84658613
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name2-(oxetan-3-ylsulfanyl)phenol
SMILESOc1ccccc1SC1COC1
InChIInChI=1S/C9H10O2S/c10-8-3-1-2-4-9(8)12-7-5-11-6-7/h1-4,7,10H,5-6H2
InChIKeyWQSOGPJOIUUFJA-UHFFFAOYSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.88
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)phenol?
The IUPAC name of 2-(oxetan-3-ylsulfanyl)phenol (CID 84658613) is 2-(oxetan-3-ylsulfanyl)phenol.
What is the SMILES notation for 2-(oxetan-3-ylsulfanyl)phenol?
The canonical SMILES for 2-(oxetan-3-ylsulfanyl)phenol is Oc1ccccc1SC1COC1.
What is the InChIKey of 2-(oxetan-3-ylsulfanyl)phenol?
The InChIKey is WQSOGPJOIUUFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c10-8-3-1-2-4-9(8)12-7-5-11-6-7/h1-4,7,10H,5-6H2.
What are the key properties of 2-(oxetan-3-ylsulfanyl)phenol?
2-(oxetan-3-ylsulfanyl)phenol has a molecular weight of 182.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-ylsulfanyl)phenol is sourced from PubChem (CID 84658613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).