2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol

C10H12O4S — CID 117328849

IUPAC2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(C2(O)CC2)c(O)c1
InChIInChI=1S/C10H12O4S/c1-15(13,14)7-2-3-8(9(11)6-7)10(12)4-5-10/h2-3,6,11-12H,4-5H2,1H3
InChIKeyGWHOPNQNCDAHQY-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.78
Rot. Bonds2

About 2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol

2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol (PubChem CID 117328849) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol.

Molecular Properties

Compound Name2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol
PubChem CID117328849
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(C2(O)CC2)c(O)c1
InChIInChI=1S/C10H12O4S/c1-15(13,14)7-2-3-8(9(11)6-7)10(12)4-5-10/h2-3,6,11-12H,4-5H2,1H3
InChIKeyGWHOPNQNCDAHQY-UHFFFAOYSA-N
XLogP0.78
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol?
The IUPAC name of 2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol (CID 117328849) is 2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol.
What is the SMILES notation for 2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol?
The canonical SMILES for 2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol is CS(=O)(=O)c1ccc(C2(O)CC2)c(O)c1.
What is the InChIKey of 2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol?
The InChIKey is GWHOPNQNCDAHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S/c1-15(13,14)7-2-3-8(9(11)6-7)10(12)4-5-10/h2-3,6,11-12H,4-5H2,1H3.
What are the key properties of 2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol?
2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol has a molecular weight of 228.27 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopropyl)-5-methylsulfonylphenol is sourced from PubChem (CID 117328849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).