2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol

C10H13NO2 — CID 55263951

IUPAC2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol
SMILESOCc1cccc([C@H]2CCN2)c1O
InChIInChI=1S/C10H13NO2/c12-6-7-2-1-3-8(10(7)13)9-4-5-11-9/h1-3,9,11-13H,4-6H2/t9-/m1/s1
InChIKeyOTULDYGHAOJNMZ-SECBINFHSA-N
MW179.22 g/mol
LogP0.92
Rot. Bonds2

About 2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol

2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol (PubChem CID 55263951) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol
PubChem CID55263951
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol
SMILESOCc1cccc([C@H]2CCN2)c1O
InChIInChI=1S/C10H13NO2/c12-6-7-2-1-3-8(10(7)13)9-4-5-11-9/h1-3,9,11-13H,4-6H2/t9-/m1/s1
InChIKeyOTULDYGHAOJNMZ-SECBINFHSA-N
XLogP0.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol
CID 55263489
2-[(2S)-azetidin-2-yl]-6-ethylphenol
CID 130780797
2-[(2S)-azetidin-2-yl]-6-fluorophenol
CID 55278704
2-[(2S)-azetidin-2-yl]-4-chloro-6-(hydroxymethyl)phenol
CID 130657242
[2-[(2S)-pyrrolidin-2-yl]phenyl]methanol
CID 66518247
2-(azetidin-2-yl)phenol
CID 55282316
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
4-[(2S)-azetidin-2-yl]naphthalen-1-ol
CID 55277860
2-[(2R)-aziridin-2-yl]-6-propylphenol
CID 165358418
[2-[(2R)-azetidin-2-yl]-4-chlorophenyl]methanol
CID 130665382
6-[(2S)-azetidin-2-yl]-3-chloro-2-methylphenol
CID 131008087

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol?
The IUPAC name of 2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol (CID 55263951) is 2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol.
What is the SMILES notation for 2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol?
The canonical SMILES for 2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol is OCc1cccc([C@H]2CCN2)c1O.
What is the InChIKey of 2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol?
The InChIKey is OTULDYGHAOJNMZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO2/c12-6-7-2-1-3-8(10(7)13)9-4-5-11-9/h1-3,9,11-13H,4-6H2/t9-/m1/s1.
What are the key properties of 2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol?
2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol has a molecular weight of 179.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol is sourced from PubChem (CID 55263951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).