4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile

C15H19NO2 — CID 43334322

IUPAC4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile
SMILESCCC(CC)C(=O)C(C#N)c1ccc(OC)cc1
InChIInChI=1S/C15H19NO2/c1-4-11(5-2)15(17)14(10-16)12-6-8-13(18-3)9-7-12/h6-9,11,14H,4-5H2,1-3H3
InChIKeyOAEKBNCXCIXBAA-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.31
Rot. Bonds6

About 4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile

4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile (PubChem CID 43334322) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile.

Molecular Properties

Compound Name4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile
PubChem CID43334322
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile
SMILESCCC(CC)C(=O)C(C#N)c1ccc(OC)cc1
InChIInChI=1S/C15H19NO2/c1-4-11(5-2)15(17)14(10-16)12-6-8-13(18-3)9-7-12/h6-9,11,14H,4-5H2,1-3H3
InChIKeyOAEKBNCXCIXBAA-UHFFFAOYSA-N
XLogP3.31
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile 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

2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 159061964
2-(3-methoxyphenyl)-3-oxo-4-propylheptanenitrile
CID 82984266
2-(3,5-difluorophenyl)-4-ethyl-3-oxohexanenitrile
CID 54959662
ethyl 2-cyano-2-(6-methoxynaphthalen-2-yl)acetate
CID 135011770
4-cyclobutyl-2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 103163886
4-ethyl-2-(2-fluorophenyl)-3-oxohexanenitrile
CID 54977853
(2S)-3-(4-methoxyphenyl)-3-oxo-2-phenylpropanenitrile
CID 682096
2-(4-fluorophenyl)-3-oxo-4-propylheptanenitrile
CID 82985348
4-cycloheptyl-2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 114457994
3-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)-3-oxopropanenitrile
CID 43334354
4-methyl-2-(4-methylphenyl)-3-oxohexanenitrile
CID 62831018
3-methoxyimino-2-(4-methoxyphenyl)butanenitrile
CID 135039925

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile?
The IUPAC name of 4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile (CID 43334322) is 4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile.
What is the SMILES notation for 4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile?
The canonical SMILES for 4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile is CCC(CC)C(=O)C(C#N)c1ccc(OC)cc1.
What is the InChIKey of 4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile?
The InChIKey is OAEKBNCXCIXBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-11(5-2)15(17)14(10-16)12-6-8-13(18-3)9-7-12/h6-9,11,14H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile?
4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile has a molecular weight of 245.32 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methoxyphenyl)-3-oxohexanenitrile is sourced from PubChem (CID 43334322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).