(1S)-1-phenyl-1,2-dipyridin-4-ylethanol

C18H16N2O — CID 26793169

IUPAC(1S)-1-phenyl-1,2-dipyridin-4-ylethanol
SMILESO[C@@](Cc1ccncc1)(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H16N2O/c21-18(16-4-2-1-3-5-16,17-8-12-20-13-9-17)14-15-6-10-19-11-7-15/h1-13,21H,14H2/t18-/m0/s1
InChIKeyWKKZQTNBLFZMMN-SFHVURJKSA-N
MW276.34 g/mol
LogP2.96
Rot. Bonds4

About (1S)-1-phenyl-1,2-dipyridin-4-ylethanol

(1S)-1-phenyl-1,2-dipyridin-4-ylethanol (PubChem CID 26793169) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (1S)-1-phenyl-1,2-dipyridin-4-ylethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-1,2-dipyridin-4-ylethanol
PubChem CID26793169
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(1S)-1-phenyl-1,2-dipyridin-4-ylethanol
SMILESO[C@@](Cc1ccncc1)(c1ccccc1)c1ccncc1
InChIInChI=1S/C18H16N2O/c21-18(16-4-2-1-3-5-16,17-8-12-20-13-9-17)14-15-6-10-19-11-7-15/h1-13,21H,14H2/t18-/m0/s1
InChIKeyWKKZQTNBLFZMMN-SFHVURJKSA-N
XLogP2.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-diphenyl-1-pyridin-4-ylethanol;hydrochloride
CID 21149832
(1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride
CID 139176344
(1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol
CID 40634096
1,1,2-tripyridin-3-ylethanol
CID 57425683
1-(2-fluorophenyl)-1,2-diphenylethanol
CID 66572227
1,4-bis(2,2,2-triphenylethyl)benzene
CID 3555789
2-hydroxy-1,2-diphenyl-2-pyridin-4-ylethanone
CID 67444545
2,2-difluoro-1,1,3-triphenylpropan-1-ol
CID 54590336
1,1-bis(4-fluorophenyl)-2-pyridin-3-ylethanol
CID 23036417
4-(2,2-dimethylpropyl)pyridine
CID 22960904
2-iodo-1,1-diphenylethanol
CID 11738821
1,1-diphenyl-1-pyridin-4-ylpropan-2-one
CID 123238663

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-1,2-dipyridin-4-ylethanol?
The IUPAC name of (1S)-1-phenyl-1,2-dipyridin-4-ylethanol (CID 26793169) is (1S)-1-phenyl-1,2-dipyridin-4-ylethanol.
What is the SMILES notation for (1S)-1-phenyl-1,2-dipyridin-4-ylethanol?
The canonical SMILES for (1S)-1-phenyl-1,2-dipyridin-4-ylethanol is O[C@@](Cc1ccncc1)(c1ccccc1)c1ccncc1.
What is the InChIKey of (1S)-1-phenyl-1,2-dipyridin-4-ylethanol?
The InChIKey is WKKZQTNBLFZMMN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18(16-4-2-1-3-5-16,17-8-12-20-13-9-17)14-15-6-10-19-11-7-15/h1-13,21H,14H2/t18-/m0/s1.
What are the key properties of (1S)-1-phenyl-1,2-dipyridin-4-ylethanol?
(1S)-1-phenyl-1,2-dipyridin-4-ylethanol has a molecular weight of 276.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-1,2-dipyridin-4-ylethanol is sourced from PubChem (CID 26793169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).