2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride

C12H18ClNO3 — CID 171196234

IUPAC2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
SMILESCOc1cc([C@@H]2CCCN2)cc(OC)c1O.Cl
InChIInChI=1S/C12H17NO3.ClH/c1-15-10-6-8(9-4-3-5-13-9)7-11(16-2)12(10)14;/h6-7,9,13-14H,3-5H2,1-2H3;1H/t9-;/m0./s1
InChIKeyJKYOLSIPUPNWTO-FVGYRXGTSA-N
MW259.73 g/mol
LogP2.26
Rot. Bonds3

About 2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride

2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride (PubChem CID 171196234) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
PubChem CID171196234
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Name2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
SMILESCOc1cc([C@@H]2CCCN2)cc(OC)c1O.Cl
InChIInChI=1S/C12H17NO3.ClH/c1-15-10-6-8(9-4-3-5-13-9)7-11(16-2)12(10)14;/h6-7,9,13-14H,3-5H2,1-2H3;1H/t9-;/m0./s1
InChIKeyJKYOLSIPUPNWTO-FVGYRXGTSA-N
XLogP2.26
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196156
4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
CID 171197135
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
CID 131429410
CID 176965942
CID 176965942
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321
4-tert-butyl-2-methoxy-6-pyrrolidin-2-ylphenol
CID 117377260
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-methoxy-4-nitro-6-[(2S)-pyrrolidin-2-yl]phenol
CID 171196587
(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol
CID 130148506

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride?
The IUPAC name of 2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride (CID 171196234) is 2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride.
What is the SMILES notation for 2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride?
The canonical SMILES for 2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride is COc1cc([C@@H]2CCCN2)cc(OC)c1O.Cl.
What is the InChIKey of 2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride?
The InChIKey is JKYOLSIPUPNWTO-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H17NO3.ClH/c1-15-10-6-8(9-4-3-5-13-9)7-11(16-2)12(10)14;/h6-7,9,13-14H,3-5H2,1-2H3;1H/t9-;/m0./s1.
What are the key properties of 2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride?
2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride has a molecular weight of 259.73 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride is sourced from PubChem (CID 171196234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).