4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol

C11H15NO2 — CID 105447136

IUPAC4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol
SMILESOc1ccc(CC(O)C2CNC2)cc1
InChIInChI=1S/C11H15NO2/c13-10-3-1-8(2-4-10)5-11(14)9-6-12-7-9/h1-4,9,11-14H,5-7H2
InChIKeyRUCFNDNMUJPYTM-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.51
Rot. Bonds3

About 4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol

4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol (PubChem CID 105447136) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol
PubChem CID105447136
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol
SMILESOc1ccc(CC(O)C2CNC2)cc1
InChIInChI=1S/C11H15NO2/c13-10-3-1-8(2-4-10)5-11(14)9-6-12-7-9/h1-4,9,11-14H,5-7H2
InChIKeyRUCFNDNMUJPYTM-UHFFFAOYSA-N
XLogP0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol
CID 105447135
2-(4-fluorophenyl)-1-piperidin-3-ylethanol
CID 71683765
2-(4-ethylphenyl)-1-piperidin-3-ylethanol
CID 79019336
4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
CID 115496116
2-(4-hydroxyphenyl)-1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]ethanone
CID 70710982
2-(4-bromophenyl)-1-piperidin-4-ylethanol
CID 79016497
(1R)-1-cyclopropyl-2-(4-methylphenyl)ethanol
CID 39236667
1-(azetidin-3-yl)-2-cyclopropylethanol
CID 105428286
4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol
CID 84664828
2-(4-tert-butylphenyl)-1-cyclopropylethanol
CID 62608769
1-cyclobutyl-2-(4-ethylphenyl)ethanol
CID 64986891
4-(azetidin-3-ylsulfonylmethyl)phenol
CID 115070287

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol?
The IUPAC name of 4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol (CID 105447136) is 4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol.
What is the SMILES notation for 4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol?
The canonical SMILES for 4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol is Oc1ccc(CC(O)C2CNC2)cc1.
What is the InChIKey of 4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol?
The InChIKey is RUCFNDNMUJPYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-10-3-1-8(2-4-10)5-11(14)9-6-12-7-9/h1-4,9,11-14H,5-7H2.
What are the key properties of 4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol?
4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol has a molecular weight of 193.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol is sourced from PubChem (CID 105447136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).