(1S)-1-phenyl-2-pyridin-2-ylethanol

C13H13NO — CID 11310145

IUPAC(1S)-1-phenyl-2-pyridin-2-ylethanol
SMILESO[C@@H](Cc1ccccn1)c1ccccc1
InChIInChI=1S/C13H13NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-9,13,15H,10H2/t13-/m0/s1
InChIKeyNPVKVVBMSCQGAS-ZDUSSCGKSA-N
MW199.25 g/mol
LogP2.36
Rot. Bonds3

About (1S)-1-phenyl-2-pyridin-2-ylethanol

(1S)-1-phenyl-2-pyridin-2-ylethanol (PubChem CID 11310145) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (1S)-1-phenyl-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-pyridin-2-ylethanol
PubChem CID11310145
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(1S)-1-phenyl-2-pyridin-2-ylethanol
SMILESO[C@@H](Cc1ccccn1)c1ccccc1
InChIInChI=1S/C13H13NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-9,13,15H,10H2/t13-/m0/s1
InChIKeyNPVKVVBMSCQGAS-ZDUSSCGKSA-N
XLogP2.36
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-pyridin-2-ylethanol?
The IUPAC name of (1S)-1-phenyl-2-pyridin-2-ylethanol (CID 11310145) is (1S)-1-phenyl-2-pyridin-2-ylethanol.
What is the SMILES notation for (1S)-1-phenyl-2-pyridin-2-ylethanol?
The canonical SMILES for (1S)-1-phenyl-2-pyridin-2-ylethanol is O[C@@H](Cc1ccccn1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-pyridin-2-ylethanol?
The InChIKey is NPVKVVBMSCQGAS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H13NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-9,13,15H,10H2/t13-/m0/s1.
What are the key properties of (1S)-1-phenyl-2-pyridin-2-ylethanol?
(1S)-1-phenyl-2-pyridin-2-ylethanol has a molecular weight of 199.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-pyridin-2-ylethanol is sourced from PubChem (CID 11310145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).