3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol

C10H12ClNO — CID 55252487

IUPAC3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1ccc([C@@H]2CCCN2)c(Cl)c1
InChIInChI=1S/C10H12ClNO/c11-9-6-7(13)3-4-8(9)10-2-1-5-12-10/h3-4,6,10,12-13H,1-2,5H2/t10-/m0/s1
InChIKeyCKGOOXFSZALNSE-JTQLQIEISA-N
MW197.67 g/mol
LogP2.47
Rot. Bonds1

About 3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol

3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol (PubChem CID 55252487) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
PubChem CID55252487
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1ccc([C@@H]2CCCN2)c(Cl)c1
InChIInChI=1S/C10H12ClNO/c11-9-6-7(13)3-4-8(9)10-2-1-5-12-10/h3-4,6,10,12-13H,1-2,5H2/t10-/m0/s1
InChIKeyCKGOOXFSZALNSE-JTQLQIEISA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol 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

3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
4-[(2R)-azetidin-2-yl]-3-chlorophenol
CID 130700334
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
3-chloro-4-[(2R)-pyrrolidin-2-yl]benzoic acid
CID 66519198
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
CID 171195341
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
5-hydroxy-2-[(2S)-pyrrolidin-2-yl]benzonitrile
CID 130632788
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702
(2S)-2-(2-chloro-4-fluorophenyl)piperidine
CID 130642071
3-chloro-4-piperidin-3-ylphenol
CID 82612870

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol?
The IUPAC name of 3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol (CID 55252487) is 3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol is Oc1ccc([C@@H]2CCCN2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol?
The InChIKey is CKGOOXFSZALNSE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12ClNO/c11-9-6-7(13)3-4-8(9)10-2-1-5-12-10/h3-4,6,10,12-13H,1-2,5H2/t10-/m0/s1.
What are the key properties of 3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol?
3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol has a molecular weight of 197.67 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 55252487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).