(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol

C10H12ClNO — CID 125117368

IUPAC(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c11-8-3-1-7(2-4-8)9-5-12-6-10(9)13/h1-4,9-10,12-13H,5-6H2/t9-,10+/m1/s1
InChIKeyZQODSTYMINEEDI-ZJUUUORDSA-N
MW197.67 g/mol
LogP1.39
Rot. Bonds1

About (3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol

(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol (PubChem CID 125117368) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is (3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol
PubChem CID125117368
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c11-8-3-1-7(2-4-8)9-5-12-6-10(9)13/h1-4,9-10,12-13H,5-6H2/t9-,10+/m1/s1
InChIKeyZQODSTYMINEEDI-ZJUUUORDSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-(4-hydroxypyrrolidin-3-yl)phenyl]benzamide
CID 67238737
(3S,4R)-4-phenylpyrrolidin-3-ol
CID 25067300
(3R,4S)-4-phenylpyrrolidin-3-ol;hydrochloride
CID 162341594
(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-amine
CID 90167505
(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 68794624
oxalic acid;bis((3S,4R)-4-phenylpyrrolidin-3-ol)
CID 86811208
3,4-bis(4-chlorophenyl)piperidine
CID 79434307
(3S,4R)-3-(4-chlorophenyl)-4-ethylpyrrolidine
CID 125453406
(3S,4R)-N-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 46215955
(3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine
CID 70225291
trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol
CID 94503733
3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
CID 79433603

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol (CID 125117368) is (3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol is O[C@H]1CNC[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol?
The InChIKey is ZQODSTYMINEEDI-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-8-3-1-7(2-4-8)9-5-12-6-10(9)13/h1-4,9-10,12-13H,5-6H2/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol?
(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol has a molecular weight of 197.67 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 125117368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).