4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile

C23H19NO4 — CID 7627777

IUPAC4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile
SMILESCOc1ccc(OC)c(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1
InChIInChI=1S/C23H19NO4/c1-26-20-11-12-23(27-2)21(13-20)22(25)15-28-19-9-7-18(8-10-19)17-5-3-16(14-24)4-6-17/h3-13H,15H2,1-2H3
InChIKeySGIBMXPXHVSWFE-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.50
Rot. Bonds7

About 4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile

4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile (PubChem CID 7627777) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile
PubChem CID7627777
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile
SMILESCOc1ccc(OC)c(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1
InChIInChI=1S/C23H19NO4/c1-26-20-11-12-23(27-2)21(13-20)22(25)15-28-19-9-7-18(8-10-19)17-5-3-16(14-24)4-6-17/h3-13H,15H2,1-2H3
InChIKeySGIBMXPXHVSWFE-UHFFFAOYSA-N
XLogP4.50
TPSA68.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile 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

4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]benzonitrile
CID 7627302
2-(4-cyanophenoxy)-N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]acetamide
CID 9316623
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 3-cyanobenzoate
CID 7488457
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 9019861
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9318517
4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile
CID 7818595
5-chloro-1-(2,5-dimethoxyphenyl)pentan-1-one
CID 18931430
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate
CID 30784737
2-[4-(4-cyanophenyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78759927
2-(4-cyanophenoxy)-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 9316574
4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzonitrile
CID 38900024

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile?
The IUPAC name of 4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile (CID 7627777) is 4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile is COc1ccc(OC)c(C(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c1.
What is the InChIKey of 4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile?
The InChIKey is SGIBMXPXHVSWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-26-20-11-12-23(27-2)21(13-20)22(25)15-28-19-9-7-18(8-10-19)17-5-3-16(14-24)4-6-17/h3-13H,15H2,1-2H3.
What are the key properties of 4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile?
4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile has a molecular weight of 373.41 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile is sourced from PubChem (CID 7627777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).