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

C14H14FNO2 — CID 107720608

IUPAC(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCc2cccnc2)cc1F
InChIInChI=1S/C14H14FNO2/c1-10(17)13-5-4-12(7-14(13)15)18-9-11-3-2-6-16-8-11/h2-8,10,17H,9H2,1H3/t10-/m0/s1
InChIKeyDDRHDFHNZPMMMK-JTQLQIEISA-N
MW247.27 g/mol
LogP2.85
Rot. Bonds4

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

(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol (PubChem CID 107720608) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
PubChem CID107720608
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCc2cccnc2)cc1F
InChIInChI=1S/C14H14FNO2/c1-10(17)13-5-4-12(7-14(13)15)18-9-11-3-2-6-16-8-11/h2-8,10,17H,9H2,1H3/t10-/m0/s1
InChIKeyDDRHDFHNZPMMMK-JTQLQIEISA-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

Analyze (1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol
CID 107719563
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 107720343
3-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 65202970
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 113389598
(1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol
CID 107720224
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid
CID 107719952

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol (CID 107720608) is (1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol is C[C@H](O)c1ccc(OCc2cccnc2)cc1F.
What is the InChIKey of (1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol?
The InChIKey is DDRHDFHNZPMMMK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14FNO2/c1-10(17)13-5-4-12(7-14(13)15)18-9-11-3-2-6-16-8-11/h2-8,10,17H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol?
(1S)-1-[2-fluoro-4-(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 (1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 107720608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).