(1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride

C19H18ClNO — CID 139176344

IUPAC(1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride
SMILESO[C@](Cc1ccccc1)(c1ccccc1)c1cc[nH+]cc1.[Cl-]
InChIInChI=1S/C19H17NO.ClH/c21-19(17-9-5-2-6-10-17,18-11-13-20-14-12-18)15-16-7-3-1-4-8-16;/h1-14,21H,15H2;1H/t19-;/m1./s1
InChIKeySZUSPESHBHKQNJ-FSRHSHDFSA-N
MW311.81 g/mol
LogP-0.02
Rot. Bonds4

About (1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride

(1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride (PubChem CID 139176344) has the molecular formula C19H18ClNO and a molecular weight of 311.81 g/mol. Its IUPAC name is (1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride.

Molecular Properties

Compound Name(1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride
PubChem CID139176344
Molecular FormulaC19H18ClNO
Molecular Weight311.81 g/mol
Exact Mass311.11
IUPAC Name(1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride
SMILESO[C@](Cc1ccccc1)(c1ccccc1)c1cc[nH+]cc1.[Cl-]
InChIInChI=1S/C19H17NO.ClH/c21-19(17-9-5-2-6-10-17,18-11-13-20-14-12-18)15-16-7-3-1-4-8-16;/h1-14,21H,15H2;1H/t19-;/m1./s1
InChIKeySZUSPESHBHKQNJ-FSRHSHDFSA-N
XLogP-0.02
TPSA34.37 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-diphenyl-1-pyridin-4-ylethanol;hydrochloride
CID 21149832
(1S)-1-phenyl-1,2-dipyridin-4-ylethanol
CID 26793169
1-(2-fluorophenyl)-1,2-diphenylethanol
CID 66572227
2,2-difluoro-1,1,3-triphenylpropan-1-ol
CID 54590336
2-benzyl-1,1,3-triphenyl-2-sulfanylpropan-1-ol
CID 154130400
1,1-bis(4-methoxy-3-methylphenyl)-2-phenylethanol
CID 57233562
1,4-bis(2,2,2-triphenylethyl)benzene
CID 3555789
1,2,3-triphenylpropan-2-ylazanium chloride
CID 21496963
1,1,2-tripyridin-3-ylethanol
CID 57425683
1,1,1-trifluoro-2,3-diphenylpropan-2-ol
CID 12697056
2-iodo-1,1-diphenylethanol
CID 11738821
azane;3-benzylpentan-3-ol
CID 173295411

Frequently Asked Questions

What is the IUPAC name of (1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride?
The IUPAC name of (1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride (CID 139176344) is (1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride.
What is the SMILES notation for (1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride?
The canonical SMILES for (1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride is O[C@](Cc1ccccc1)(c1ccccc1)c1cc[nH+]cc1.[Cl-].
What is the InChIKey of (1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride?
The InChIKey is SZUSPESHBHKQNJ-FSRHSHDFSA-N. The full InChI is InChI=1S/C19H17NO.ClH/c21-19(17-9-5-2-6-10-17,18-11-13-20-14-12-18)15-16-7-3-1-4-8-16;/h1-14,21H,15H2;1H/t19-;/m1./s1.
What are the key properties of (1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride?
(1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride has a molecular weight of 311.81 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,2-diphenyl-1-pyridin-1-ium-4-ylethanol chloride is sourced from PubChem (CID 139176344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).