(2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol

C14H14FNO2S — CID 42108813

IUPAC(2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESO[C@H](COc1ccc(F)cc1)CSc1ccccn1
InChIInChI=1S/C14H14FNO2S/c15-11-4-6-13(7-5-11)18-9-12(17)10-19-14-3-1-2-8-16-14/h1-8,12,17H,9-10H2/t12-/m1/s1
InChIKeyKINMOEHZUGILSQ-GFCCVEGCSA-N
MW279.34 g/mol
LogP2.75
Rot. Bonds6

About (2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol

(2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol (PubChem CID 42108813) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
PubChem CID42108813
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name(2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESO[C@H](COc1ccc(F)cc1)CSc1ccccn1
InChIInChI=1S/C14H14FNO2S/c15-11-4-6-13(7-5-11)18-9-12(17)10-19-14-3-1-2-8-16-14/h1-8,12,17H,9-10H2/t12-/m1/s1
InChIKeyKINMOEHZUGILSQ-GFCCVEGCSA-N
XLogP2.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2R)-2-hydroxy-3-pyridin-2-ylsulfanylpropoxy]phenyl]ethanone
CID 42108830
1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43842271
1-(2,6-dimethoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43842276
(2S)-1-(2,6-dimethoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108825
(2S)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108845
(2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108844
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(2,3-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol;hydrochloride
CID 45283796
(2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108841
1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43859409
(2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol
CID 39972873
1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol
CID 42896633

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The IUPAC name of (2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol (CID 42108813) is (2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol is O[C@H](COc1ccc(F)cc1)CSc1ccccn1.
What is the InChIKey of (2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The InChIKey is KINMOEHZUGILSQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14FNO2S/c15-11-4-6-13(7-5-11)18-9-12(17)10-19-14-3-1-2-8-16-14/h1-8,12,17H,9-10H2/t12-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
(2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol has a molecular weight of 279.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 42108813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).