3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride

C10H12Cl3NO — CID 171196064

IUPAC3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
SMILESCl.Oc1cc(Cl)cc(Cl)c1[C@H]1CCCN1
InChIInChI=1S/C10H11Cl2NO.ClH/c11-6-4-7(12)10(9(14)5-6)8-2-1-3-13-8;/h4-5,8,13-14H,1-3H2;1H/t8-;/m1./s1
InChIKeyVRNDSYVBGWAJRG-DDWIOCJRSA-N
MW268.57 g/mol
LogP3.55
Rot. Bonds1

About 3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride

3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride (PubChem CID 171196064) has the molecular formula C10H12Cl3NO and a molecular weight of 268.57 g/mol. Its IUPAC name is 3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
PubChem CID171196064
Molecular FormulaC10H12Cl3NO
Molecular Weight268.57 g/mol
Exact Mass267.00
IUPAC Name3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
SMILESCl.Oc1cc(Cl)cc(Cl)c1[C@H]1CCCN1
InChIInChI=1S/C10H11Cl2NO.ClH/c11-6-4-7(12)10(9(14)5-6)8-2-1-3-13-8;/h4-5,8,13-14H,1-3H2;1H/t8-;/m1./s1
InChIKeyVRNDSYVBGWAJRG-DDWIOCJRSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.57
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-methyl-2-pyrrolidin-2-ylphenol
CID 84782063
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 130664608
(2R)-2-(2,3,6-trichlorophenyl)pyrrolidine;hydrochloride
CID 171196089
2,4-difluoro-3-pyrrolidin-2-ylphenol
CID 84775150
2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline
CID 66519219
4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
CID 117352288
6-bromo-3-chloro-2-[(2S)-pyrrolidin-2-yl]phenol
CID 131173682
(2S)-2-(2,3,6-trichlorophenyl)pyrrolidine
CID 130622124
2-tert-butyl-4-chloro-6-pyrrolidin-2-ylphenol
CID 117387935
6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84793255
5-chloro-4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenol
CID 66518714

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
The IUPAC name of 3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride (CID 171196064) is 3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride.
What is the SMILES notation for 3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
The canonical SMILES for 3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride is Cl.Oc1cc(Cl)cc(Cl)c1[C@H]1CCCN1.
What is the InChIKey of 3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
The InChIKey is VRNDSYVBGWAJRG-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H11Cl2NO.ClH/c11-6-4-7(12)10(9(14)5-6)8-2-1-3-13-8;/h4-5,8,13-14H,1-3H2;1H/t8-;/m1./s1.
What are the key properties of 3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride?
3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride has a molecular weight of 268.57 g/mol, XLogP of 3.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride is sourced from PubChem (CID 171196064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).