2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol

C13H19NO2 — CID 117243867

IUPAC2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol
SMILESOCC(CN1CCCC1)c1ccccc1O
InChIInChI=1S/C13H19NO2/c15-10-11(9-14-7-3-4-8-14)12-5-1-2-6-13(12)16/h1-2,5-6,11,15-16H,3-4,7-10H2
InChIKeyDBXQJEKBBCRWGM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.56
Rot. Bonds4

About 2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol

2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol (PubChem CID 117243867) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol.

Molecular Properties

Compound Name2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol
PubChem CID117243867
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol
SMILESOCC(CN1CCCC1)c1ccccc1O
InChIInChI=1S/C13H19NO2/c15-10-11(9-14-7-3-4-8-14)12-5-1-2-6-13(12)16/h1-2,5-6,11,15-16H,3-4,7-10H2
InChIKeyDBXQJEKBBCRWGM-UHFFFAOYSA-N
XLogP1.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol
CID 117243887
3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 117243860
2-[1-amino-2-(azepan-1-yl)ethyl]phenol
CID 117243601
3-piperidin-1-yl-2-thiophen-2-ylpropan-1-ol
CID 117240379
2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol
CID 61471961
3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine
CID 82107556
2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 117240368
2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol
CID 117244097
3-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 117244790
2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide
CID 67700058
2-[1-(4-methylpiperazin-1-yl)propan-2-yl]phenol
CID 115040340
1-[3-amino-2-(2-hydroxyphenyl)propyl]pyrrolidin-2-one
CID 105494553

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol?
The IUPAC name of 2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol (CID 117243867) is 2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol.
What is the SMILES notation for 2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol?
The canonical SMILES for 2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol is OCC(CN1CCCC1)c1ccccc1O.
What is the InChIKey of 2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol?
The InChIKey is DBXQJEKBBCRWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-10-11(9-14-7-3-4-8-14)12-5-1-2-6-13(12)16/h1-2,5-6,11,15-16H,3-4,7-10H2.
What are the key properties of 2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol?
2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol has a molecular weight of 221.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol is sourced from PubChem (CID 117243867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).