4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile

C16H16N2O2 — CID 83125700

IUPAC4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1Oc1ccc(C(C)O)nc1
InChIInChI=1S/C16H16N2O2/c1-10-6-13(8-17)7-11(2)16(10)20-14-4-5-15(12(3)19)18-9-14/h4-7,9,12,19H,1-3H3
InChIKeyZRLQBQKZIPODAE-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.42
Rot. Bonds3

About 4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile

4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile (PubChem CID 83125700) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile
PubChem CID83125700
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile
SMILESCc1cc(C#N)cc(C)c1Oc1ccc(C(C)O)nc1
InChIInChI=1S/C16H16N2O2/c1-10-6-13(8-17)7-11(2)16(10)20-14-4-5-15(12(3)19)18-9-14/h4-7,9,12,19H,1-3H3
InChIKeyZRLQBQKZIPODAE-UHFFFAOYSA-N
XLogP3.42
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile 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)-1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83124719
4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 115940162
3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile
CID 107666140
(1S)-1-[5-(2,4-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83125032
1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940525
1-[5-(5-bromo-2-methylphenoxy)-2-pyridinyl]ethanol
CID 107284882
1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol
CID 83125125
5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile
CID 115487857
1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
CID 83125690
1-[5-(3-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124813
4-[4-(bromomethyl)-3-methylphenoxy]-3,5-dimethylbenzonitrile
CID 107088751
1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol
CID 83110707

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
The IUPAC name of 4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile (CID 83125700) is 4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile is Cc1cc(C#N)cc(C)c1Oc1ccc(C(C)O)nc1.
What is the InChIKey of 4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
The InChIKey is ZRLQBQKZIPODAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-6-13(8-17)7-11(2)16(10)20-14-4-5-15(12(3)19)18-9-14/h4-7,9,12,19H,1-3H3.
What are the key properties of 4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile is sourced from PubChem (CID 83125700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).