(1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol

C21H20ClNO — CID 95559455

IUPAC(1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol
SMILESCc1ccc([C@H](c2ccccn2)[C@](C)(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H20ClNO/c1-15-9-11-16(12-10-15)20(19-8-3-4-13-23-19)21(2,24)17-6-5-7-18(22)14-17/h3-14,20,24H,1-2H3/t20-,21-/m1/s1
InChIKeyGXWLUVGEADLUOI-NHCUHLMSSA-N
MW337.85 g/mol
LogP5.08
Rot. Bonds4

About (1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol

(1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol (PubChem CID 95559455) has the molecular formula C21H20ClNO and a molecular weight of 337.85 g/mol. Its IUPAC name is (1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name(1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol
PubChem CID95559455
Molecular FormulaC21H20ClNO
Molecular Weight337.85 g/mol
Exact Mass337.12
IUPAC Name(1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol
SMILESCc1ccc([C@H](c2ccccn2)[C@](C)(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H20ClNO/c1-15-9-11-16(12-10-15)20(19-8-3-4-13-23-19)21(2,24)17-6-5-7-18(22)14-17/h3-14,20,24H,1-2H3/t20-,21-/m1/s1
InChIKeyGXWLUVGEADLUOI-NHCUHLMSSA-N
XLogP5.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.85
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol
CID 129361874
(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
(1R,2S)-2-(4-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 125488338
(1R,2S)-2-(4-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 95559416
2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol
CID 163594818
(1S,2R)-2-(2-methylsulfanylphenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 95559476
(2S,3R)-1,1,1-trifluoro-2,3-diphenyl-3-pyridin-2-ylpropan-2-ol
CID 125488532
2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 110437654
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol
CID 156884075
2-(3-chlorophenyl)-3-methylhexan-2-ol
CID 107892502

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol?
The IUPAC name of (1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol (CID 95559455) is (1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for (1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol?
The canonical SMILES for (1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol is Cc1ccc([C@H](c2ccccn2)[C@](C)(O)c2cccc(Cl)c2)cc1.
What is the InChIKey of (1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol?
The InChIKey is GXWLUVGEADLUOI-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H20ClNO/c1-15-9-11-16(12-10-15)20(19-8-3-4-13-23-19)21(2,24)17-6-5-7-18(22)14-17/h3-14,20,24H,1-2H3/t20-,21-/m1/s1.
What are the key properties of (1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol?
(1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol has a molecular weight of 337.85 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 95559455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).