3-chloro-4-pyrrolidin-2-ylphenol

C10H12ClNO — CID 55271327

IUPAC3-chloro-4-pyrrolidin-2-ylphenol
SMILESOc1ccc(C2CCCN2)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
InChIKeyCKGOOXFSZALNSE-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.47
Rot. Bonds1

About 3-chloro-4-pyrrolidin-2-ylphenol

3-chloro-4-pyrrolidin-2-ylphenol (PubChem CID 55271327) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-chloro-4-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name3-chloro-4-pyrrolidin-2-ylphenol
PubChem CID55271327
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name3-chloro-4-pyrrolidin-2-ylphenol
SMILESOc1ccc(C2CCCN2)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
InChIKeyCKGOOXFSZALNSE-UHFFFAOYSA-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

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Related Compounds

3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 55252487
4-[(2R)-azetidin-2-yl]-3-chlorophenol
CID 130700334
(2R)-2-(4-bromo-2-chlorophenyl)pyrrolidine;hydrochloride
CID 171195907
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
3-chloro-4-[(2R)-pyrrolidin-2-yl]benzoic acid
CID 66519198
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
2-chloro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518543
4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
CID 171195341
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-pyrrolidin-2-ylphenol?
The IUPAC name of 3-chloro-4-pyrrolidin-2-ylphenol (CID 55271327) is 3-chloro-4-pyrrolidin-2-ylphenol.
What is the SMILES notation for 3-chloro-4-pyrrolidin-2-ylphenol?
The canonical SMILES for 3-chloro-4-pyrrolidin-2-ylphenol is Oc1ccc(C2CCCN2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-pyrrolidin-2-ylphenol?
The InChIKey is CKGOOXFSZALNSE-UHFFFAOYSA-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.
What are the key properties of 3-chloro-4-pyrrolidin-2-ylphenol?
3-chloro-4-pyrrolidin-2-ylphenol 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-pyrrolidin-2-ylphenol is sourced from PubChem (CID 55271327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).