4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile

C24H21NO2 — CID 7670213

IUPAC4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile
SMILESCCCc1ccc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C24H21NO2/c1-2-3-18-4-10-22(11-5-18)24(26)17-27-23-14-12-21(13-15-23)20-8-6-19(16-25)7-9-20/h4-15H,2-3,17H2,1H3
InChIKeyDNWNOFNUPZCLIN-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.44
Rot. Bonds7

About 4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile

4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile (PubChem CID 7670213) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile
PubChem CID7670213
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile
SMILESCCCc1ccc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1
InChIInChI=1S/C24H21NO2/c1-2-3-18-4-10-22(11-5-18)24(26)17-27-23-14-12-21(13-15-23)20-8-6-19(16-25)7-9-20/h4-15H,2-3,17H2,1H3
InChIKeyDNWNOFNUPZCLIN-UHFFFAOYSA-N
XLogP5.44
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-cyanophenyl)phenyl] 4-propylbenzoate
CID 46864020
2-(4-cyanophenoxy)-N-[(Z)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 9316565
3-ethoxy-4-[2-oxo-2-(4-propylphenyl)ethoxy]benzonitrile
CID 112784032
N-[2-[4-[2-(4-cyanophenoxy)acetyl]phenyl]ethyl]methanesulfonamide
CID 26682548
2-(4-nitrophenoxy)-1-(4-propylphenyl)ethanone
CID 52888465
3-[4-[2-(4-cyanophenyl)-2-oxoethoxy]phenyl]propanoic acid;oxamic acid
CID 143975031
N-(4-butylphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671061
2-(3,4-dimethylphenoxy)-1-(4-propylphenyl)ethanone
CID 43412300
4-(4-propylphenoxy)benzonitrile
CID 20986267
2-(3,5-dichlorophenoxy)-1-(4-propylphenyl)ethanone
CID 60623922
1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 63424296
4-[2-(3,4-difluorophenoxy)acetyl]benzonitrile
CID 43612525

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile?
The IUPAC name of 4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile (CID 7670213) is 4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile is CCCc1ccc(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile?
The InChIKey is DNWNOFNUPZCLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-2-3-18-4-10-22(11-5-18)24(26)17-27-23-14-12-21(13-15-23)20-8-6-19(16-25)7-9-20/h4-15H,2-3,17H2,1H3.
What are the key properties of 4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile?
4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile has a molecular weight of 355.44 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-oxo-2-(4-propylphenyl)ethoxy]phenyl]benzonitrile is sourced from PubChem (CID 7670213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).