4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol

C13H19NO2 — CID 99859032

IUPAC4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol
SMILESC[C@]1(CO)CCCN1Cc1ccc(O)cc1
InChIInChI=1S/C13H19NO2/c1-13(10-15)7-2-8-14(13)9-11-3-5-12(16)6-4-11/h3-6,15-16H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyKUJGBDJJVHWEOP-CYBMUJFWSA-N
MW221.30 g/mol
LogP1.74
Rot. Bonds3

About 4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol

4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol (PubChem CID 99859032) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol
PubChem CID99859032
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol
SMILESC[C@]1(CO)CCCN1Cc1ccc(O)cc1
InChIInChI=1S/C13H19NO2/c1-13(10-15)7-2-8-14(13)9-11-3-5-12(16)6-4-11/h3-6,15-16H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyKUJGBDJJVHWEOP-CYBMUJFWSA-N
XLogP1.74
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol (CID 99859032) is 4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol is C[C@]1(CO)CCCN1Cc1ccc(O)cc1.
What is the InChIKey of 4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol?
The InChIKey is KUJGBDJJVHWEOP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(10-15)7-2-8-14(13)9-11-3-5-12(16)6-4-11/h3-6,15-16H,2,7-10H2,1H3/t13-/m1/s1.
What are the key properties of 4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol?
4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 99859032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).