4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile

C19H19NO2 — CID 7818595

IUPAC4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile
SMILESCc1cc(C(=O)COc2ccc(C#N)cc2)c(C)c(C)c1C
InChIInChI=1S/C19H19NO2/c1-12-9-18(15(4)14(3)13(12)2)19(21)11-22-17-7-5-16(10-20)6-8-17/h5-9H,11H2,1-4H3
InChIKeyRZDUQCIQMGFAGI-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.05
Rot. Bonds4

About 4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile

4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile (PubChem CID 7818595) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile
PubChem CID7818595
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile
SMILESCc1cc(C(=O)COc2ccc(C#N)cc2)c(C)c(C)c1C
InChIInChI=1S/C19H19NO2/c1-12-9-18(15(4)14(3)13(12)2)19(21)11-22-17-7-5-16(10-20)6-8-17/h5-9H,11H2,1-4H3
InChIKeyRZDUQCIQMGFAGI-UHFFFAOYSA-N
XLogP4.05
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile
CID 7757330
2-(4-nitrophenoxy)-1-(2,3,4,5-tetramethylphenyl)ethanone
CID 7816781
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 2-(4-cyanophenoxy)acetate
CID 9140926
4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]benzonitrile
CID 7627302
4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzonitrile
CID 38900024
3-[2-oxo-2-(2,4,5-trimethylphenyl)ethoxy]benzonitrile
CID 4819726
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140911
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712
4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 2440861
4-[4-[2-(2,5-dimethoxyphenyl)-2-oxoethoxy]phenyl]benzonitrile
CID 7627777
methyl 3-[3-[2-(4-cyanophenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 7818819
4-[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]benzonitrile
CID 7503388

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile?
The IUPAC name of 4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile (CID 7818595) is 4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile is Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)c(C)c1C.
What is the InChIKey of 4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile?
The InChIKey is RZDUQCIQMGFAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-12-9-18(15(4)14(3)13(12)2)19(21)11-22-17-7-5-16(10-20)6-8-17/h5-9H,11H2,1-4H3.
What are the key properties of 4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile?
4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile has a molecular weight of 293.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethoxy]benzonitrile is sourced from PubChem (CID 7818595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).