2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol

C10H11Cl2NO — CID 130664608

IUPAC2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1c(Cl)cc([C@@H]2CCCN2)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c11-7-4-6(5-8(12)10(7)14)9-2-1-3-13-9/h4-5,9,13-14H,1-3H2/t9-/m0/s1
InChIKeyKXESHAILOYZJJA-VIFPVBQESA-N
MW232.11 g/mol
LogP3.12
Rot. Bonds1

About 2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol

2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol (PubChem CID 130664608) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
PubChem CID130664608
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
SMILESOc1c(Cl)cc([C@@H]2CCCN2)cc1Cl
InChIInChI=1S/C10H11Cl2NO/c11-7-4-6(5-8(12)10(7)14)9-2-1-3-13-9/h4-5,9,13-14H,1-3H2/t9-/m0/s1
InChIKeyKXESHAILOYZJJA-VIFPVBQESA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
2-chloro-6-methyl-4-piperidin-2-ylphenol
CID 84690212
2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196156
3-chloro-2-methyl-5-piperidin-2-ylphenol
CID 84790686
2,6-dichloro-4-[(2S)-piperazin-2-yl]phenol;hydrochloride
CID 171193729
(2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 66519431
2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196234
6-chloro-3-fluoro-4-methyl-2-pyrrolidin-2-ylphenol
CID 84793255
2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117356620
(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
CID 66518568
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol?
The IUPAC name of 2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol (CID 130664608) is 2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol is Oc1c(Cl)cc([C@@H]2CCCN2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol?
The InChIKey is KXESHAILOYZJJA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11Cl2NO/c11-7-4-6(5-8(12)10(7)14)9-2-1-3-13-9/h4-5,9,13-14H,1-3H2/t9-/m0/s1.
What are the key properties of 2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol?
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol has a molecular weight of 232.11 g/mol, XLogP of 3.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 130664608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).