(1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol

C21H21NOS — CID 95559476

IUPAC(1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
SMILESCSc1ccccc1[C@](C)(O)[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C21H21NOS/c1-21(23,17-12-6-7-14-19(17)24-2)20(16-10-4-3-5-11-16)18-13-8-9-15-22-18/h3-15,20,23H,1-2H3/t20-,21-/m0/s1
InChIKeyGVVIRGZGDVHMFR-SFTDATJTSA-N
MW335.47 g/mol
LogP4.84
Rot. Bonds5

About (1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol

(1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol (PubChem CID 95559476) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is (1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
PubChem CID95559476
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name(1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
SMILESCSc1ccccc1[C@](C)(O)[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C21H21NOS/c1-21(23,17-12-6-7-14-19(17)24-2)20(16-10-4-3-5-11-16)18-13-8-9-15-22-18/h3-15,20,23H,1-2H3/t20-,21-/m0/s1
InChIKeyGVVIRGZGDVHMFR-SFTDATJTSA-N
XLogP4.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 95559416
(1R,2S)-2-(4-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 125488338
(1S,2S)-2-(3-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 125488175
(1R,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-ylpropan-2-ol
CID 125488696
(2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol
CID 125488532
(R)-(2-methylsulfanylphenyl)-pyridin-2-ylmethanol
CID 97292943
ethane;2-(1-phenylethyl)pyridine
CID 143899083
(1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol
CID 95559455
4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol
CID 129361874
(2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol
CID 55276084
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
N-tert-butyl-2-phenyl-2-pyridin-2-ylacetamide
CID 110373379

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol?
The IUPAC name of (1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol (CID 95559476) is (1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for (1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol?
The canonical SMILES for (1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol is CSc1ccccc1[C@](C)(O)[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of (1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol?
The InChIKey is GVVIRGZGDVHMFR-SFTDATJTSA-N. The full InChI is InChI=1S/C21H21NOS/c1-21(23,17-12-6-7-14-19(17)24-2)20(16-10-4-3-5-11-16)18-13-8-9-15-22-18/h3-15,20,23H,1-2H3/t20-,21-/m0/s1.
What are the key properties of (1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol?
(1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol has a molecular weight of 335.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 95559476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).