2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol

C11H14FNO2 — CID 77131485

IUPAC2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
SMILESCOc1cc(C2CCCN2)cc(F)c1O
InChIInChI=1S/C11H14FNO2/c1-15-10-6-7(5-8(12)11(10)14)9-3-2-4-13-9/h5-6,9,13-14H,2-4H2,1H3
InChIKeyDCYFRGIDQVNQEY-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.96
Rot. Bonds2

About 2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol

2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol (PubChem CID 77131485) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol.

Molecular Properties

Compound Name2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
PubChem CID77131485
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
SMILESCOc1cc(C2CCCN2)cc(F)c1O
InChIInChI=1S/C11H14FNO2/c1-15-10-6-7(5-8(12)11(10)14)9-3-2-4-13-9/h5-6,9,13-14H,2-4H2,1H3
InChIKeyDCYFRGIDQVNQEY-UHFFFAOYSA-N
XLogP1.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196234
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321
2-chloro-6-methoxy-4-[(2S)-pyrrolidin-2-yl]phenol
CID 66519193
2-chloro-6-methoxy-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196156
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-bromo-6-methoxy-4-[(2R)-piperidin-2-yl]phenol
CID 131429410
3,4-difluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117359415
CID 176965942
CID 176965942
4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
CID 171197135
2-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)piperidine
CID 117463655
2-fluoro-3,4-dimethoxy-6-pyrrolidin-2-ylphenol
CID 117354943
methyl 3-fluoro-2-hydroxy-5-piperidin-2-ylbenzoate
CID 117385565

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol?
The IUPAC name of 2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol (CID 77131485) is 2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol.
What is the SMILES notation for 2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol?
The canonical SMILES for 2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol is COc1cc(C2CCCN2)cc(F)c1O.
What is the InChIKey of 2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol?
The InChIKey is DCYFRGIDQVNQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-15-10-6-7(5-8(12)11(10)14)9-3-2-4-13-9/h5-6,9,13-14H,2-4H2,1H3.
What are the key properties of 2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol?
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol has a molecular weight of 211.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol is sourced from PubChem (CID 77131485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).