1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol

C13H18ClNO2 — CID 62941193

IUPAC1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
SMILESOC1CCN(CCC(O)c2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClNO2/c14-11-3-1-2-10(8-11)13(17)5-7-15-6-4-12(16)9-15/h1-3,8,12-13,16-17H,4-7,9H2
InChIKeyTUGYKMKRLOGGBE-UHFFFAOYSA-N
MW255.74 g/mol
LogP1.83
Rot. Bonds4

About 1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol

1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol (PubChem CID 62941193) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
PubChem CID62941193
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
SMILESOC1CCN(CCC(O)c2cccc(Cl)c2)C1
InChIInChI=1S/C13H18ClNO2/c14-11-3-1-2-10(8-11)13(17)5-7-15-6-4-12(16)9-15/h1-3,8,12-13,16-17H,4-7,9H2
InChIKeyTUGYKMKRLOGGBE-UHFFFAOYSA-N
XLogP1.83
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 55131757
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol
CID 82685637
1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967577
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 81213880
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 55098461
1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
CID 102789664
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-chlorophenyl)propan-1-ol
CID 102728352
1-[2-(3-chlorophenyl)propyl]piperidin-4-ol
CID 86804164
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol
CID 55098468

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol (CID 62941193) is 1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol is OC1CCN(CCC(O)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol?
The InChIKey is TUGYKMKRLOGGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-11-3-1-2-10(8-11)13(17)5-7-15-6-4-12(16)9-15/h1-3,8,12-13,16-17H,4-7,9H2.
What are the key properties of 1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol?
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol has a molecular weight of 255.74 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).