2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile

C17H15NO2 — CID 174608687

IUPAC2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile
SMILESCOc1ccccc1C(C#N)C(=O)Cc1ccccc1
InChIInChI=1S/C17H15NO2/c1-20-17-10-6-5-9-14(17)15(12-18)16(19)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3
InChIKeyAZMWGQJXMBSTJX-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.11
Rot. Bonds5

About 2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile

2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile (PubChem CID 174608687) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile
PubChem CID174608687
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile
SMILESCOc1ccccc1C(C#N)C(=O)Cc1ccccc1
InChIInChI=1S/C17H15NO2/c1-20-17-10-6-5-9-14(17)15(12-18)16(19)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3
InChIKeyAZMWGQJXMBSTJX-UHFFFAOYSA-N
XLogP3.11
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile 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

(2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile
CID 93260273
2-cyano-2-(2-methoxyphenyl)acetamide
CID 16762344
2-(2-methoxyphenyl)-3-oxoundecanenitrile
CID 65426340
ethyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 13432076
phenyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 68736409
methyl 2-cyano-3-oxo-4-phenylbutanoate
CID 14787262
2-methyl-3-oxo-4-phenylbutanenitrile
CID 15914422
2-(2-methoxyphenyl)-3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
CID 66477278
4-(2-bicyclo[2.2.1]heptanyl)-2-(2-methoxyphenyl)-3-oxobutanenitrile
CID 43334457
2-(2-methoxyphenyl)-4-methylsulfonyl-3-oxopentanenitrile
CID 104519573
2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-4-phenylbutanenitrile
CID 23316023
4-[2-cyano-2-(2-methoxyphenyl)ethyl]benzoic acid
CID 82139690

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile?
The IUPAC name of 2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile (CID 174608687) is 2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile is COc1ccccc1C(C#N)C(=O)Cc1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile?
The InChIKey is AZMWGQJXMBSTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-20-17-10-6-5-9-14(17)15(12-18)16(19)11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile?
2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile has a molecular weight of 265.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile is sourced from PubChem (CID 174608687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).