1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol

C15H23NO2 — CID 114798372

IUPAC1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N1CCC(CCO)C1
InChIInChI=1S/C15H23NO2/c1-2-15(18)13-5-3-4-6-14(13)16-9-7-12(11-16)8-10-17/h3-6,12,15,17-18H,2,7-11H2,1H3
InChIKeyZPYAYQQUUKZIIX-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.34
Rot. Bonds5

About 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol

1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol (PubChem CID 114798372) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
PubChem CID114798372
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N1CCC(CCO)C1
InChIInChI=1S/C15H23NO2/c1-2-15(18)13-5-3-4-6-14(13)16-9-7-12(11-16)8-10-17/h3-6,12,15,17-18H,2,7-11H2,1H3
InChIKeyZPYAYQQUUKZIIX-UHFFFAOYSA-N
XLogP2.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
CID 117028454
1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678826
(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 113359067
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol
CID 103959921
(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
CID 103960194
2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
CID 117028471
2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol
CID 117003516
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678761
2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide
CID 115995958
1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol
CID 115996046
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 103942831

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol (CID 114798372) is 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol is CCC(O)c1ccccc1N1CCC(CCO)C1.
What is the InChIKey of 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol?
The InChIKey is ZPYAYQQUUKZIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-15(18)13-5-3-4-6-14(13)16-9-7-12(11-16)8-10-17/h3-6,12,15,17-18H,2,7-11H2,1H3.
What are the key properties of 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol?
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol is sourced from PubChem (CID 114798372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).