5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride

C11H16ClNO2 — CID 171195842

IUPAC5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
SMILESCOc1ccc([C@H]2CCCN2)c(O)c1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-14-8-4-5-9(11(13)7-8)10-3-2-6-12-10;/h4-5,7,10,12-13H,2-3,6H2,1H3;1H/t10-;/m1./s1
InChIKeySQESENHBDQVVON-HNCPQSOCSA-N
MW229.71 g/mol
LogP2.25
Rot. Bonds2

About 5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride

5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride (PubChem CID 171195842) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
PubChem CID171195842
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
SMILESCOc1ccc([C@H]2CCCN2)c(O)c1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-14-8-4-5-9(11(13)7-8)10-3-2-6-12-10;/h4-5,7,10,12-13H,2-3,6H2,1H3;1H/t10-;/m1./s1
InChIKeySQESENHBDQVVON-HNCPQSOCSA-N
XLogP2.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.25
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
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
CID 171195341
(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 171194833
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine
CID 130676134
5-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 96773573
5-methoxy-2-morpholin-3-ylphenol
CID 82612039
2-[(2S)-azetidin-2-yl]-4-methoxyphenol;hydrochloride
CID 171196735

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
The IUPAC name of 5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride (CID 171195842) is 5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride.
What is the SMILES notation for 5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
The canonical SMILES for 5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride is COc1ccc([C@H]2CCCN2)c(O)c1.Cl.
What is the InChIKey of 5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
The InChIKey is SQESENHBDQVVON-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-14-8-4-5-9(11(13)7-8)10-3-2-6-12-10;/h4-5,7,10,12-13H,2-3,6H2,1H3;1H/t10-;/m1./s1.
What are the key properties of 5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride is sourced from PubChem (CID 171195842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).