2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride

C10H14ClNO2 — CID 171196735

IUPAC2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
SMILESCOc1ccc(O)c([C@@H]2CCN2)c1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-13-7-2-3-10(12)8(6-7)9-4-5-11-9;/h2-3,6,9,11-12H,4-5H2,1H3;1H/t9-;/m0./s1
InChIKeyRWLAYSGXZRRXDA-FVGYRXGTSA-N
MW215.68 g/mol
LogP1.86
Rot. Bonds2

About 2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride

2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride (PubChem CID 171196735) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
PubChem CID171196735
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
SMILESCOc1ccc(O)c([C@@H]2CCN2)c1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-13-7-2-3-10(12)8(6-7)9-4-5-11-9;/h2-3,6,9,11-12H,4-5H2,1H3;1H/t9-;/m0./s1
InChIKeyRWLAYSGXZRRXDA-FVGYRXGTSA-N
XLogP1.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
2-[(2R)-azetidin-2-yl]-4-ethoxyphenol
CID 55263715
(2R)-2-(2-fluoro-5-methoxyphenyl)azetidine;hydrochloride
CID 171197365
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
(2R)-2-(2-iodo-5-methoxyphenyl)azetidine
CID 130626622
4-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 131539104
(2R)-2-(2-fluoro-4-methoxyphenyl)azetidine;hydrochloride
CID 171197142
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195842
(4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184351
2-(2-bromo-4-methoxyphenyl)azetidine
CID 130534303
(2R)-2-(4-methoxy-2-methylphenyl)azetidine
CID 130623728

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride (CID 171196735) is 2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride is COc1ccc(O)c([C@@H]2CCN2)c1.Cl.
What is the InChIKey of 2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride?
The InChIKey is RWLAYSGXZRRXDA-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-13-7-2-3-10(12)8(6-7)9-4-5-11-9;/h2-3,6,9,11-12H,4-5H2,1H3;1H/t9-;/m0./s1.
What are the key properties of 2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride?
2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride is sourced from PubChem (CID 171196735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).