(2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite

C9H11FO2S — CID 57300701

IUPAC(2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite
SMILESCC(C)Oc1ccc(SF)c(O)c1
InChIInChI=1S/C9H11FO2S/c1-6(2)12-7-3-4-9(13-10)8(11)5-7/h3-6,11H,1-2H3
InChIKeyIMDPQEFESJRZMU-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.16
Rot. Bonds3

About (2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite

(2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite (PubChem CID 57300701) has the molecular formula C9H11FO2S and a molecular weight of 202.25 g/mol. Its IUPAC name is (2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite.

Molecular Properties

Compound Name(2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite
PubChem CID57300701
Molecular FormulaC9H11FO2S
Molecular Weight202.25 g/mol
Exact Mass202.05
IUPAC Name(2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite
SMILESCC(C)Oc1ccc(SF)c(O)c1
InChIInChI=1S/C9H11FO2S/c1-6(2)12-7-3-4-9(13-10)8(11)5-7/h3-6,11H,1-2H3
InChIKeyIMDPQEFESJRZMU-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite?
The IUPAC name of (2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite (CID 57300701) is (2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite.
What is the SMILES notation for (2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite?
The canonical SMILES for (2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite is CC(C)Oc1ccc(SF)c(O)c1.
What is the InChIKey of (2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite?
The InChIKey is IMDPQEFESJRZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2S/c1-6(2)12-7-3-4-9(13-10)8(11)5-7/h3-6,11H,1-2H3.
What are the key properties of (2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite?
(2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite has a molecular weight of 202.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-propan-2-yloxyphenyl) thiohypofluorite is sourced from PubChem (CID 57300701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).