2-(1,1-dioxothian-2-yl)phenol

C11H14O3S — CID 105483986

IUPAC2-(1,1-dioxothian-2-yl)phenol
SMILESO=S1(=O)CCCCC1c1ccccc1O
InChIInChI=1S/C11H14O3S/c12-10-6-2-1-5-9(10)11-7-3-4-8-15(11,13)14/h1-2,5-6,11-12H,3-4,7-8H2
InChIKeyJUGJKBGIPXJGJX-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.03
Rot. Bonds1

About 2-(1,1-dioxothian-2-yl)phenol

2-(1,1-dioxothian-2-yl)phenol (PubChem CID 105483986) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(1,1-dioxothian-2-yl)phenol.

Molecular Properties

Compound Name2-(1,1-dioxothian-2-yl)phenol
PubChem CID105483986
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name2-(1,1-dioxothian-2-yl)phenol
SMILESO=S1(=O)CCCCC1c1ccccc1O
InChIInChI=1S/C11H14O3S/c12-10-6-2-1-5-9(10)11-7-3-4-8-15(11,13)14/h1-2,5-6,11-12H,3-4,7-8H2
InChIKeyJUGJKBGIPXJGJX-UHFFFAOYSA-N
XLogP2.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothian-2-yl)phenol?
The IUPAC name of 2-(1,1-dioxothian-2-yl)phenol (CID 105483986) is 2-(1,1-dioxothian-2-yl)phenol.
What is the SMILES notation for 2-(1,1-dioxothian-2-yl)phenol?
The canonical SMILES for 2-(1,1-dioxothian-2-yl)phenol is O=S1(=O)CCCCC1c1ccccc1O.
What is the InChIKey of 2-(1,1-dioxothian-2-yl)phenol?
The InChIKey is JUGJKBGIPXJGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c12-10-6-2-1-5-9(10)11-7-3-4-8-15(11,13)14/h1-2,5-6,11-12H,3-4,7-8H2.
What are the key properties of 2-(1,1-dioxothian-2-yl)phenol?
2-(1,1-dioxothian-2-yl)phenol has a molecular weight of 226.30 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothian-2-yl)phenol is sourced from PubChem (CID 105483986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).