2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol

C11H15NO2 — CID 105446964

IUPAC2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)C1c1ccccc1O
InChIInChI=1S/C11H15NO2/c1-12-7-6-10(14)11(12)8-4-2-3-5-9(8)13/h2-5,10-11,13-14H,6-7H2,1H3
InChIKeyWCGOTEIQFLEXIN-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.13
Rot. Bonds1

About 2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol

2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol (PubChem CID 105446964) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol
PubChem CID105446964
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)C1c1ccccc1O
InChIInChI=1S/C11H15NO2/c1-12-7-6-10(14)11(12)8-4-2-3-5-9(8)13/h2-5,10-11,13-14H,6-7H2,1H3
InChIKeyWCGOTEIQFLEXIN-UHFFFAOYSA-N
XLogP1.13
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.13
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

2-(3-hydroxy-1-methylpyrrolidin-2-yl)benzoic acid
CID 105477267
2-(1-methyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridin-5-yl)phenol
CID 54425276
2-[(2R,3S)-3-(2-bromo-5-chlorophenyl)-1-methylpyrrolidin-2-yl]phenol
CID 68506394
2-(3-fluoro-1-methylpiperidin-4-yl)phenol
CID 83855916
1-cyclopropyl-4-hydroxy-5-(2-hydroxyphenyl)pyrrolidin-2-one
CID 105492461
2-[(2R,4aS,6R,8aS)-2-(2-hydroxyphenyl)-3,7-dimethyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazin-6-yl]phenol
CID 11792584
(2R,4S)-1-methyl-2-phenylpiperidin-4-ol
CID 71409526
2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol
CID 105460356
2-(4-methylpiperazin-2-yl)phenol
CID 83445266
2-(4-methylmorpholin-2-yl)phenol
CID 82278561
1-methyl-2-phenylpyrrolidine-3-carboxylic acid
CID 71778186
trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
CID 10667503

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol (CID 105446964) is 2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol is CN1CCC(O)C1c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol?
The InChIKey is WCGOTEIQFLEXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-7-6-10(14)11(12)8-4-2-3-5-9(8)13/h2-5,10-11,13-14H,6-7H2,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol?
2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol has a molecular weight of 193.25 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 105446964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).