4-(azetidin-3-ylmethylsulfonylmethyl)phenol

C11H15NO3S — CID 81198576

IUPAC4-(azetidin-3-ylmethylsulfonylmethyl)phenol
SMILESO=S(=O)(Cc1ccc(O)cc1)CC1CNC1
InChIInChI=1S/C11H15NO3S/c13-11-3-1-9(2-4-11)7-16(14,15)8-10-5-12-6-10/h1-4,10,12-13H,5-8H2
InChIKeyQJCGDTGTYXKMFV-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.53
Rot. Bonds4

About 4-(azetidin-3-ylmethylsulfonylmethyl)phenol

4-(azetidin-3-ylmethylsulfonylmethyl)phenol (PubChem CID 81198576) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethylsulfonylmethyl)phenol.

Molecular Properties

Compound Name4-(azetidin-3-ylmethylsulfonylmethyl)phenol
PubChem CID81198576
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-(azetidin-3-ylmethylsulfonylmethyl)phenol
SMILESO=S(=O)(Cc1ccc(O)cc1)CC1CNC1
InChIInChI=1S/C11H15NO3S/c13-11-3-1-9(2-4-11)7-16(14,15)8-10-5-12-6-10/h1-4,10,12-13H,5-8H2
InChIKeyQJCGDTGTYXKMFV-UHFFFAOYSA-N
XLogP0.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethylsulfonylmethyl)phenol?
The IUPAC name of 4-(azetidin-3-ylmethylsulfonylmethyl)phenol (CID 81198576) is 4-(azetidin-3-ylmethylsulfonylmethyl)phenol.
What is the SMILES notation for 4-(azetidin-3-ylmethylsulfonylmethyl)phenol?
The canonical SMILES for 4-(azetidin-3-ylmethylsulfonylmethyl)phenol is O=S(=O)(Cc1ccc(O)cc1)CC1CNC1.
What is the InChIKey of 4-(azetidin-3-ylmethylsulfonylmethyl)phenol?
The InChIKey is QJCGDTGTYXKMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c13-11-3-1-9(2-4-11)7-16(14,15)8-10-5-12-6-10/h1-4,10,12-13H,5-8H2.
What are the key properties of 4-(azetidin-3-ylmethylsulfonylmethyl)phenol?
4-(azetidin-3-ylmethylsulfonylmethyl)phenol has a molecular weight of 241.31 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethylsulfonylmethyl)phenol is sourced from PubChem (CID 81198576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).