1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol

C14H14ClNO2S — CID 2843341

IUPAC1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESOC(COc1ccc(Cl)cc1)CSc1ccccn1
InChIInChI=1S/C14H14ClNO2S/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
InChIKeyCYLUJDUHSYTCKP-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.27
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol

1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol (PubChem CID 2843341) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
PubChem CID2843341
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESOC(COc1ccc(Cl)cc1)CSc1ccccn1
InChIInChI=1S/C14H14ClNO2S/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
InChIKeyCYLUJDUHSYTCKP-UHFFFAOYSA-N
XLogP3.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-Chlorophenoxy)ethylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7779721
1-[[6-[2-(4-Chlorophenoxy)ethylsulfanyl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 16304684
Pyridine, 2-(3,4-dichlorophenoxy)-5-(methylthio)-
CID 514890
(S)-3-(4-bromo-2,6-difluorophenoxy)-1-(2-pyridylthio)-2-propanol
CID 42108810
1-Phenoxy-3-(2-pyridinylsulfonyl)-2-propanol
CID 604119
2-[2-(4-Methoxyphenoxy)ethylsulfanyl]-1-oxidopyridin-1-ium
CID 8892934
(S)-3-(4-chloro-2-tolyloxy)-1-(2-pyridylthio)-2-propanol
CID 42108823
3-(4-Chloro-3-methylphenoxy)-1-(2-pyridylthio)propan-2-ol
CID 43842274
1-(2,6-Dimethoxyphenoxy)-3-(2-pyridylthio)propan-2-ol
CID 43842276
1-(4-Bromophenoxy)-3-(pyridin-2-ylthio)propan-2-ol hydrochloride
CID 45283788
1-(2-(4-Chlorophenoxy)ethoxy)-3-(pyridin-2-ylthio)propan-2-ol hydrochloride
CID 71779648
1-(4-Bromo-2,6-difluorophenoxy)-3-(2-pyridylthio)propan-2-ol
CID 43842267

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol (CID 2843341) is 1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol is OC(COc1ccc(Cl)cc1)CSc1ccccn1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The InChIKey is CYLUJDUHSYTCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/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.
What are the key properties of 1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol has a molecular weight of 295.79 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 2843341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).