4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride

C11H16ClNO3 — CID 171197135

IUPAC4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
SMILESCOc1cc([C@H]2CCN2)cc(OC)c1O.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-14-9-5-7(8-3-4-12-8)6-10(15-2)11(9)13;/h5-6,8,12-13H,3-4H2,1-2H3;1H/t8-;/m1./s1
InChIKeyDWWKFTIVQPTECG-DDWIOCJRSA-N
MW245.71 g/mol
LogP1.87
Rot. Bonds3

About 4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride

4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride (PubChem CID 171197135) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
PubChem CID171197135
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
SMILESCOc1cc([C@H]2CCN2)cc(OC)c1O.Cl
InChIInChI=1S/C11H15NO3.ClH/c1-14-9-5-7(8-3-4-12-8)6-10(15-2)11(9)13;/h5-6,8,12-13H,3-4H2,1-2H3;1H/t8-;/m1./s1
InChIKeyDWWKFTIVQPTECG-DDWIOCJRSA-N
XLogP1.87
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196234
2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196156
2-[(2S)-azetidin-2-yl]-4-bromo-6-methoxyphenol
CID 130699449
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
CID 131429410
(2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride
CID 171196939
(2S)-2-(4-chloro-3-methoxyphenyl)azetidine
CID 55270648
[4-[(2R)-azetidin-2-yl]-2-methoxyphenyl] acetate
CID 171197397
(2R)-2-(4-methoxy-3-methylphenyl)azetidine
CID 130665442
2-[(2S)-azetidin-2-yl]-3,5-dimethoxyphenol;hydrochloride
CID 171196834
5-[(2R)-azetidin-2-yl]benzene-1,3-diol
CID 130707048

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride?
The IUPAC name of 4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride (CID 171197135) is 4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride is COc1cc([C@H]2CCN2)cc(OC)c1O.Cl.
What is the InChIKey of 4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride?
The InChIKey is DWWKFTIVQPTECG-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H15NO3.ClH/c1-14-9-5-7(8-3-4-12-8)6-10(15-2)11(9)13;/h5-6,8,12-13H,3-4H2,1-2H3;1H/t8-;/m1./s1.
What are the key properties of 4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride?
4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride is sourced from PubChem (CID 171197135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).