2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol

C13H19NO2 — CID 105477662

IUPAC2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CCC(O)C1c1cccc(O)c1
InChIInChI=1S/C13H19NO2/c1-9(2)14-7-6-12(16)13(14)10-4-3-5-11(15)8-10/h3-5,8-9,12-13,15-16H,6-7H2,1-2H3
InChIKeyXZGYVBOKAQIUCC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.91
Rot. Bonds2

About 2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol

2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol (PubChem CID 105477662) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol
PubChem CID105477662
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)N1CCC(O)C1c1cccc(O)c1
InChIInChI=1S/C13H19NO2/c1-9(2)14-7-6-12(16)13(14)10-4-3-5-11(15)8-10/h3-5,8-9,12-13,15-16H,6-7H2,1-2H3
InChIKeyXZGYVBOKAQIUCC-UHFFFAOYSA-N
XLogP1.91
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminophenyl)-1-propan-2-ylpiperidin-3-ol
CID 105494956
2-(3-hydroxyphenyl)-1-methylpiperidin-3-ol
CID 105460356
(2R,3S)-2-(3-aminophenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 178196704
3-(1-propan-2-ylazepan-4-yl)phenol
CID 143519435
2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine
CID 79977748
3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol
CID 118239135
3-[2-(aminomethyl)-1-methylpyrrolidin-3-yl]phenol
CID 105459318
[4-(3-hydroxyphenyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70774589
3-[(1S,2R)-2-hydroxycyclohexyl]phenol
CID 54021474
3-cyclohexylphenol
CID 16036
3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592
3-[(2S,4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl]phenol
CID 15456351

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of 2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol (CID 105477662) is 2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol is CC(C)N1CCC(O)C1c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol?
The InChIKey is XZGYVBOKAQIUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)14-7-6-12(16)13(14)10-4-3-5-11(15)8-10/h3-5,8-9,12-13,15-16H,6-7H2,1-2H3.
What are the key properties of 2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol?
2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 105477662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).