4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol

C20H18ClNO2 — CID 129361874

IUPAC4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol
SMILESC[C@@](O)(c1cccc(Cl)c1)[C@H](c1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C20H18ClNO2/c1-20(24,15-5-4-6-16(21)13-15)19(18-7-2-3-12-22-18)14-8-10-17(23)11-9-14/h2-13,19,23-24H,1H3/t19-,20-/m1/s1
InChIKeyAFGHHQYPGGUUDY-WOJBJXKFSA-N
MW339.82 g/mol
LogP4.48
Rot. Bonds4

About 4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol

4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol (PubChem CID 129361874) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol.

Molecular Properties

Compound Name4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol
PubChem CID129361874
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol
SMILESC[C@@](O)(c1cccc(Cl)c1)[C@H](c1ccc(O)cc1)c1ccccn1
InChIInChI=1S/C20H18ClNO2/c1-20(24,15-5-4-6-16(21)13-15)19(18-7-2-3-12-22-18)14-8-10-17(23)11-9-14/h2-13,19,23-24H,1H3/t19-,20-/m1/s1
InChIKeyAFGHHQYPGGUUDY-WOJBJXKFSA-N
XLogP4.48
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-2-(3-chlorophenyl)-1-(4-methylphenyl)-1-pyridin-2-ylpropan-2-ol
CID 95559455
(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
4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
CID 71113745
(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
2-[1-(3-chlorophenyl)-1-phenylethyl]pyridine;(3-chlorophenyl)-phenyl-pyridin-2-ylmethanol
CID 163594818
(1S)-1-(3-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 81366506
2-(3-chlorophenyl)-1-(4-chlorophenyl)-2-methylpropan-1-ol
CID 156884075

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol?
The IUPAC name of 4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol (CID 129361874) is 4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol.
What is the SMILES notation for 4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol?
The canonical SMILES for 4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol is C[C@@](O)(c1cccc(Cl)c1)[C@H](c1ccc(O)cc1)c1ccccn1.
What is the InChIKey of 4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol?
The InChIKey is AFGHHQYPGGUUDY-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-20(24,15-5-4-6-16(21)13-15)19(18-7-2-3-12-22-18)14-8-10-17(23)11-9-14/h2-13,19,23-24H,1H3/t19-,20-/m1/s1.
What are the key properties of 4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol?
4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol has a molecular weight of 339.82 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-2-(3-chlorophenyl)-2-hydroxy-1-pyridin-2-ylpropyl]phenol is sourced from PubChem (CID 129361874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).