1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol

C17H19NO2S — CID 43859409

IUPAC1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESC=CCc1ccccc1OCC(O)CSc1ccccn1
InChIInChI=1S/C17H19NO2S/c1-2-7-14-8-3-4-9-16(14)20-12-15(19)13-21-17-10-5-6-11-18-17/h2-6,8-11,15,19H,1,7,12-13H2
InChIKeyJNILYUPUTRHOGM-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.34
Rot. Bonds8

About 1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol

1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol (PubChem CID 43859409) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
PubChem CID43859409
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
SMILESC=CCc1ccccc1OCC(O)CSc1ccccn1
InChIInChI=1S/C17H19NO2S/c1-2-7-14-8-3-4-9-16(14)20-12-15(19)13-21-17-10-5-6-11-18-17/h2-6,8-11,15,19H,1,7,12-13H2
InChIKeyJNILYUPUTRHOGM-UHFFFAOYSA-N
XLogP3.34
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol;hydrochloride
CID 45283796
1-(1-benzyltetrazol-5-yl)sulfanyl-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 55435964
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
(2R)-1-(4-fluorophenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108813
1-pyridin-2-ylsulfanyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 43842282
1-(2-prop-2-enylphenoxy)-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-2-ol
CID 75858385
[(2S)-2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethyl-propan-2-ylazanium
CID 6543364
1-(2,5-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43859408
(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
(2S)-1-[bis(2-hydroxyethyl)amino]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 2046985

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol (CID 43859409) is 1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol is C=CCc1ccccc1OCC(O)CSc1ccccn1.
What is the InChIKey of 1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
The InChIKey is JNILYUPUTRHOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-2-7-14-8-3-4-9-16(14)20-12-15(19)13-21-17-10-5-6-11-18-17/h2-6,8-11,15,19H,1,7,12-13H2.
What are the key properties of 1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol?
1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol has a molecular weight of 301.41 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 43859409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).