(2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol

C16H19NO2S — CID 42108844

IUPAC(2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESCc1cccc(C)c1OC[C@@H](O)CSc1ccccn1
InChIInChI=1S/C16H19NO2S/c1-12-6-5-7-13(2)16(12)19-10-14(18)11-20-15-8-3-4-9-17-15/h3-9,14,18H,10-11H2,1-2H3/t14-/m1/s1
InChIKeyFMDDERFLKQKPGI-CQSZACIVSA-N
MW289.40 g/mol
LogP3.23
Rot. Bonds6

About (2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol

(2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol (PubChem CID 42108844) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is (2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
PubChem CID42108844
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name(2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESCc1cccc(C)c1OC[C@@H](O)CSc1ccccn1
InChIInChI=1S/C16H19NO2S/c1-12-6-5-7-13(2)16(12)19-10-14(18)11-20-15-8-3-4-9-17-15/h3-9,14,18H,10-11H2,1-2H3/t14-/m1/s1
InChIKeyFMDDERFLKQKPGI-CQSZACIVSA-N
XLogP3.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108845
1-(2,3-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol;hydrochloride
CID 45283796
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
1-pyridin-2-ylsulfanyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 43842282
1-(2,5-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43859408
1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43842271
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine
CID 47105922
(2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108813
1-[4-[(2R)-2-hydroxy-3-pyridin-2-ylsulfanylpropoxy]phenyl]ethanone
CID 42108830
(2R)-1-(2,6-dimethylphenoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 94799880
1-[(5-methyl-2-pyridinyl)sulfanyl]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 78894231

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The IUPAC name of (2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol (CID 42108844) is (2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol is Cc1cccc(C)c1OC[C@@H](O)CSc1ccccn1.
What is the InChIKey of (2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The InChIKey is FMDDERFLKQKPGI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-6-5-7-13(2)16(12)19-10-14(18)11-20-15-8-3-4-9-17-15/h3-9,14,18H,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
(2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol has a molecular weight of 289.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,6-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 42108844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).