3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol

C11H14NO4- — CID 88642559

IUPAC3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol
SMILES[O-]N1CC([C@@H](O)COc2cccc(O)c2)C1
InChIInChI=1S/C11H14NO4/c13-9-2-1-3-10(4-9)16-7-11(14)8-5-12(15)6-8/h1-4,8,11,13-14H,5-7H2/q-1/t11-/m0/s1
InChIKeyNIFGVKCCYDZLEU-NSHDSACASA-N
MW224.24 g/mol
LogP0.56
Rot. Bonds4

About 3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol

3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol (PubChem CID 88642559) has the molecular formula C11H14NO4- and a molecular weight of 224.24 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol.

Molecular Properties

Compound Name3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol
PubChem CID88642559
Molecular FormulaC11H14NO4-
Molecular Weight224.24 g/mol
Exact Mass224.09
IUPAC Name3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol
SMILES[O-]N1CC([C@@H](O)COc2cccc(O)c2)C1
InChIInChI=1S/C11H14NO4/c13-9-2-1-3-10(4-9)16-7-11(14)8-5-12(15)6-8/h1-4,8,11,13-14H,5-7H2/q-1/t11-/m0/s1
InChIKeyNIFGVKCCYDZLEU-NSHDSACASA-N
XLogP0.56
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767
3-(2-hydroxypropoxy)phenol;2-methylpropane
CID 144531306
3-(2-amino-2-cyclobutylethoxy)phenol
CID 117245581
2-(3-chlorophenoxy)-1-cyclopropylethanol
CID 105105371
1-cyclobutyl-2-(3-methylphenoxy)ethanol
CID 117245576
3-(2-cyclohexyl-3-hydroxypropoxy)phenol
CID 117245989
3-(2-fluoropropoxy)phenol
CID 84653742
2-[1-hydroxy-2-(3-hydroxyphenoxy)ethyl]phenol
CID 117243718
3-(3-amino-2-cyclohexylpropoxy)phenol
CID 117245987
3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol
CID 117237909
2-(3-fluorophenoxy)-1-(1-methylpyrrolidin-3-yl)ethanol
CID 117237378
methyl 3-(3-hydroxyphenoxy)-2-(1-methylpyrrolidin-3-yl)propanoate
CID 117238371

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol?
The IUPAC name of 3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol (CID 88642559) is 3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol.
What is the SMILES notation for 3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol?
The canonical SMILES for 3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol is [O-]N1CC([C@@H](O)COc2cccc(O)c2)C1.
What is the InChIKey of 3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol?
The InChIKey is NIFGVKCCYDZLEU-NSHDSACASA-N. The full InChI is InChI=1S/C11H14NO4/c13-9-2-1-3-10(4-9)16-7-11(14)8-5-12(15)6-8/h1-4,8,11,13-14H,5-7H2/q-1/t11-/m0/s1.
What are the key properties of 3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol?
3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol has a molecular weight of 224.24 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxy-2-(1-oxidoazetidin-3-yl)ethoxy]phenol is sourced from PubChem (CID 88642559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).