(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol

C14H14FNO2 — CID 55191142

IUPAC(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1OCc1cccnc1
InChIInChI=1S/C14H14FNO2/c1-10(17)13-5-4-12(15)7-14(13)18-9-11-3-2-6-16-8-11/h2-8,10,17H,9H2,1H3/t10-/m1/s1
InChIKeyBZBHVZONUILTBD-SNVBAGLBSA-N
MW247.27 g/mol
LogP2.85
Rot. Bonds4

About (1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol

(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol (PubChem CID 55191142) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is (1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
PubChem CID55191142
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1OCc1cccnc1
InChIInChI=1S/C14H14FNO2/c1-10(17)13-5-4-12(15)7-14(13)18-9-11-3-2-6-16-8-11/h2-8,10,17H,9H2,1H3/t10-/m1/s1
InChIKeyBZBHVZONUILTBD-SNVBAGLBSA-N
XLogP2.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63066755
(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 107720608
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 78932617
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 113389598
1-[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 62380101
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 76983455
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 114930534
4-[[5-fluoro-2-(1-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882157
(1S)-1-[2-[(3-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 55247059
1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
CID 63068020

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol (CID 55191142) is (1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol is C[C@@H](O)c1ccc(F)cc1OCc1cccnc1.
What is the InChIKey of (1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol?
The InChIKey is BZBHVZONUILTBD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-10(17)13-5-4-12(15)7-14(13)18-9-11-3-2-6-16-8-11/h2-8,10,17H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol?
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol has a molecular weight of 247.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 55191142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).