2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol

C10H12ClNO — CID 66518543

IUPAC2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1c(Cl)cccc1[C@@H]1CCCN1
InChIInChI=1S/C10H12ClNO/c11-8-4-1-3-7(10(8)13)9-5-2-6-12-9/h1,3-4,9,12-13H,2,5-6H2/t9-/m0/s1
InChIKeyNAPGDWXDGHTFQF-VIFPVBQESA-N
MW197.67 g/mol
LogP2.47
Rot. Bonds1

About 2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol

2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol (PubChem CID 66518543) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
PubChem CID66518543
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1c(Cl)cccc1[C@@H]1CCCN1
InChIInChI=1S/C10H12ClNO/c11-8-4-1-3-7(10(8)13)9-5-2-6-12-9/h1,3-4,9,12-13H,2,5-6H2/t9-/m0/s1
InChIKeyNAPGDWXDGHTFQF-VIFPVBQESA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-chloro-6-[(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

2-bromo-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66519675
2-bromo-3-chloro-6-[(2R)-pyrrolidin-2-yl]phenol
CID 131086790
3-chloro-2-fluoro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518689
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
2-chloro-3-piperidin-2-ylphenol
CID 130000735
2-(hydroxymethyl)-6-[(2S)-pyrrolidin-2-yl]phenol
CID 55263489
2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride
CID 171194348
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 55252487
(2R)-2-(3-chloro-2-ethylphenyl)pyrrolidine
CID 130786361
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol?
The IUPAC name of 2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol (CID 66518543) is 2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol is Oc1c(Cl)cccc1[C@@H]1CCCN1.
What is the InChIKey of 2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol?
The InChIKey is NAPGDWXDGHTFQF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12ClNO/c11-8-4-1-3-7(10(8)13)9-5-2-6-12-9/h1,3-4,9,12-13H,2,5-6H2/t9-/m0/s1.
What are the key properties of 2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol?
2-chloro-6-[(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 2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 66518543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).