1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol

C13H18ClNO2 — CID 55131757

IUPAC1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
SMILESOC1CCN(CCC(O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClNO2/c14-11-3-1-10(2-4-11)13(17)6-8-15-7-5-12(16)9-15/h1-4,12-13,16-17H,5-9H2
InChIKeyXJGBWOAZEHRASB-UHFFFAOYSA-N
MW255.74 g/mol
LogP1.83
Rot. Bonds4

About 1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol

1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol (PubChem CID 55131757) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
PubChem CID55131757
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
SMILESOC1CCN(CCC(O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClNO2/c14-11-3-1-10(2-4-11)13(17)6-8-15-7-5-12(16)9-15/h1-4,12-13,16-17H,5-9H2
InChIKeyXJGBWOAZEHRASB-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-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
1-[3-(4-chlorophenyl)-3-(ethylamino)propyl]pyrrolidin-3-ol
CID 62942655
1-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-ol
CID 62644931
1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317
1-[3-(4-chlorophenyl)-3-hydroxypropyl]piperidin-4-one
CID 82073439
1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114539808
(3S)-1-[(3S)-3-(4-hexoxyphenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 70247484
1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 104960789
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 22770544
2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
CID 71133249
(2R)-2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one
CID 59670677

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol (CID 55131757) is 1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol is OC1CCN(CCC(O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol?
The InChIKey is XJGBWOAZEHRASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-11-3-1-10(2-4-11)13(17)6-8-15-7-5-12(16)9-15/h1-4,12-13,16-17H,5-9H2.
What are the key properties of 1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol?
1-[3-(4-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-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol is sourced from PubChem (CID 55131757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).