2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol

C17H18FNO2 — CID 68923382

IUPAC2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol
SMILESOc1ccccc1-c1ccc(F)cc1COC1CCNC1
InChIInChI=1S/C17H18FNO2/c18-13-5-6-15(16-3-1-2-4-17(16)20)12(9-13)11-21-14-7-8-19-10-14/h1-6,9,14,19-20H,7-8,10-11H2
InChIKeyCUGFSKNLTROCHN-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.08
Rot. Bonds4

About 2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol

2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol (PubChem CID 68923382) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol.

Molecular Properties

Compound Name2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol
PubChem CID68923382
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol
SMILESOc1ccccc1-c1ccc(F)cc1COC1CCNC1
InChIInChI=1S/C17H18FNO2/c18-13-5-6-15(16-3-1-2-4-17(16)20)12(9-13)11-21-14-7-8-19-10-14/h1-6,9,14,19-20H,7-8,10-11H2
InChIKeyCUGFSKNLTROCHN-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol
CID 68923378
but-2-enedioic acid;(3R)-3-[[2-(2,4-difluorophenyl)phenyl]methoxy]pyrrolidine
CID 68921762
(3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine
CID 68927392
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
(3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine
CID 68922885
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009
3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 14497371
2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine
CID 68927938
(E)-but-2-enedioic acid;(3R)-3-[[2-(2-fluorophenyl)phenyl]methoxy]pyrrolidine
CID 68927708
3-[(5-fluoro-2-methylphenyl)methoxy]piperidine
CID 112694932
(3S)-3-[(2-chloro-4-fluorophenyl)methoxy]piperidine
CID 66246791
3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine
CID 68921724

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol?
The IUPAC name of 2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol (CID 68923382) is 2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol.
What is the SMILES notation for 2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol?
The canonical SMILES for 2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol is Oc1ccccc1-c1ccc(F)cc1COC1CCNC1.
What is the InChIKey of 2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol?
The InChIKey is CUGFSKNLTROCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-13-5-6-15(16-3-1-2-4-17(16)20)12(9-13)11-21-14-7-8-19-10-14/h1-6,9,14,19-20H,7-8,10-11H2.
What are the key properties of 2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol?
2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol has a molecular weight of 287.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol is sourced from PubChem (CID 68923382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).