2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol

C11H15NO2 — CID 55263489

IUPAC2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol
SMILESOCc1cccc([C@@H]2CCCN2)c1O
InChIInChI=1S/C11H15NO2/c13-7-8-3-1-4-9(11(8)14)10-5-2-6-12-10/h1,3-4,10,12-14H,2,5-7H2/t10-/m0/s1
InChIKeyOZSCGICDTUZFGY-JTQLQIEISA-N
MW193.25 g/mol
LogP1.31
Rot. Bonds2

About 2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol

2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol (PubChem CID 55263489) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol
PubChem CID55263489
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol
SMILESOCc1cccc([C@@H]2CCCN2)c1O
InChIInChI=1S/C11H15NO2/c13-7-8-3-1-4-9(11(8)14)10-5-2-6-12-10/h1,3-4,10,12-14H,2,5-7H2/t10-/m0/s1
InChIKeyOZSCGICDTUZFGY-JTQLQIEISA-N
XLogP1.31
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.31
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-[(2R)-azetidin-2-yl]-6-(hydroxymethyl)phenol
CID 55263951
[2-[(2S)-pyrrolidin-2-yl]phenyl]methanol
CID 66518247
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
2-[(2S)-azetidin-2-yl]-6-ethylphenol
CID 130780797
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911
2-ethoxy-6-[(2S)-pyrrolidin-2-yl]phenol
CID 131597321
2-hydroxy-3-[(2S)-piperidin-2-yl]benzonitrile
CID 131554616
(2R)-2-naphthalen-1-ylpyrrolidine;hydrochloride
CID 154803630
2-naphthalen-1-ylpiperidine
CID 4209523

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol?
The IUPAC name of 2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol (CID 55263489) is 2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol is OCc1cccc([C@@H]2CCCN2)c1O.
What is the InChIKey of 2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol?
The InChIKey is OZSCGICDTUZFGY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2/c13-7-8-3-1-4-9(11(8)14)10-5-2-6-12-10/h1,3-4,10,12-14H,2,5-7H2/t10-/m0/s1.
What are the key properties of 2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol?
2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol has a molecular weight of 193.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 55263489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).