3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol

C11H15NO2 — CID 58006940

IUPAC3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol
SMILESOc1cccc(OC[C@@H]2CCCN2)c1
InChIInChI=1S/C11H15NO2/c13-10-4-1-5-11(7-10)14-8-9-3-2-6-12-9/h1,4-5,7,9,12-13H,2-3,6,8H2/t9-/m0/s1
InChIKeyLHVWERCMMWQFDK-VIFPVBQESA-N
MW193.25 g/mol
LogP1.52
Rot. Bonds3

About 3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol

3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol (PubChem CID 58006940) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol.

Molecular Properties

Compound Name3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol
PubChem CID58006940
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol
SMILESOc1cccc(OC[C@@H]2CCCN2)c1
InChIInChI=1S/C11H15NO2/c13-10-4-1-5-11(7-10)14-8-9-3-2-6-12-9/h1,4-5,7,9,12-13H,2-3,6,8H2/t9-/m0/s1
InChIKeyLHVWERCMMWQFDK-VIFPVBQESA-N
XLogP1.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol?
The IUPAC name of 3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol (CID 58006940) is 3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol.
What is the SMILES notation for 3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol?
The canonical SMILES for 3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol is Oc1cccc(OC[C@@H]2CCCN2)c1.
What is the InChIKey of 3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol?
The InChIKey is LHVWERCMMWQFDK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO2/c13-10-4-1-5-11(7-10)14-8-9-3-2-6-12-9/h1,4-5,7,9,12-13H,2-3,6,8H2/t9-/m0/s1.
What are the key properties of 3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol?
3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol has a molecular weight of 193.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-pyrrolidin-2-yl]methoxy]phenol is sourced from PubChem (CID 58006940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).