2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol

C17H18FNO2 — CID 68923378

IUPAC2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol
SMILESOc1ccccc1-c1ccc(F)cc1CO[C@H]1CCNC1
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/t14-/m0/s1
InChIKeyCUGFSKNLTROCHN-AWEZNQCLSA-N
MW287.33 g/mol
LogP3.08
Rot. Bonds4

About 2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol

2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol (PubChem CID 68923378) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol.

Molecular Properties

Compound Name2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol
PubChem CID68923378
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol
SMILESOc1ccccc1-c1ccc(F)cc1CO[C@H]1CCNC1
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/t14-/m0/s1
InChIKeyCUGFSKNLTROCHN-AWEZNQCLSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol?
The IUPAC name of 2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol (CID 68923378) is 2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol.
What is the SMILES notation for 2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol?
The canonical SMILES for 2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol is Oc1ccccc1-c1ccc(F)cc1CO[C@H]1CCNC1.
What is the InChIKey of 2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol?
The InChIKey is CUGFSKNLTROCHN-AWEZNQCLSA-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/t14-/m0/s1.
What are the key properties of 2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol?
2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]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-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol is sourced from PubChem (CID 68923378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).