(1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol

C21H21NOS — CID 95559416

IUPAC(1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
SMILESCSc1ccc([C@@](C)(O)[C@H](c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H21NOS/c1-21(23,17-11-13-18(24-2)14-12-17)20(16-8-4-3-5-9-16)19-10-6-7-15-22-19/h3-15,20,23H,1-2H3/t20-,21-/m1/s1
InChIKeyBZMSVJSCYVEWBD-NHCUHLMSSA-N
MW335.47 g/mol
LogP4.84
Rot. Bonds5

About (1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol

(1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol (PubChem CID 95559416) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is (1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
PubChem CID95559416
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name(1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
SMILESCSc1ccc([C@@](C)(O)[C@H](c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H21NOS/c1-21(23,17-11-13-18(24-2)14-12-17)20(16-8-4-3-5-9-16)19-10-6-7-15-22-19/h3-15,20,23H,1-2H3/t20-,21-/m1/s1
InChIKeyBZMSVJSCYVEWBD-NHCUHLMSSA-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-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 125488338
(1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 95559476
(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
(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
2-[1-chloro-1-(4-methylsulfanylphenyl)propan-2-yl]pyridine
CID 79206044
3-hydroxy-2-methyl-3-(4-methylsulfanylphenyl)butanoic acid
CID 62399021
(2R,3R)-2-(4-methoxyphenyl)-3-pyridin-2-ylpentan-2-ol
CID 125488478
trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane
CID 168720141
(2R,3R)-1,1,1-trifluoro-2-phenyl-3-pyridin-2-ylbutan-2-ol
CID 125488796

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol?
The IUPAC name of (1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol (CID 95559416) is (1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for (1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol?
The canonical SMILES for (1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol is CSc1ccc([C@@](C)(O)[C@H](c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of (1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol?
The InChIKey is BZMSVJSCYVEWBD-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H21NOS/c1-21(23,17-11-13-18(24-2)14-12-17)20(16-8-4-3-5-9-16)19-10-6-7-15-22-19/h3-15,20,23H,1-2H3/t20-,21-/m1/s1.
What are the key properties of (1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol?
(1R,2S)-2-(4-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 (1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 95559416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).