4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile

C20H23NO — CID 82137872

IUPAC4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile
SMILESCc1ccc(OCCC(C#N)c2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C20H23NO/c1-14-6-8-20(17(4)11-14)22-10-9-18(13-21)19-12-15(2)5-7-16(19)3/h5-8,11-12,18H,9-10H2,1-4H3
InChIKeyCXMBGXUPTICIMT-UHFFFAOYSA-N
MW293.41 g/mol
LogP5.00
Rot. Bonds5

About 4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile

4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile (PubChem CID 82137872) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile
PubChem CID82137872
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile
SMILESCc1ccc(OCCC(C#N)c2cc(C)ccc2C)c(C)c1
InChIInChI=1S/C20H23NO/c1-14-6-8-20(17(4)11-14)22-10-9-18(13-21)19-12-15(2)5-7-16(19)3/h5-8,11-12,18H,9-10H2,1-4H3
InChIKeyCXMBGXUPTICIMT-UHFFFAOYSA-N
XLogP5.00
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile
CID 82137871
3-[1-cyano-3-(2,4-dimethylphenoxy)propyl]benzonitrile
CID 82137731
4-(2,4-dimethylphenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137559
4-(2,5-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137686
2-(2,5-dimethylphenyl)-5-phenoxypentanenitrile
CID 82137856
4-(2,5-dimethylphenoxy)-2-phenylbutanenitrile
CID 82136950
2-(4-chlorophenyl)-4-(2,5-dimethylphenoxy)butanenitrile
CID 82137068
3-amino-2-(2,5-dimethylphenyl)propanenitrile
CID 82503364
1-(3-bromobutoxy)-2,4-dimethylbenzene
CID 141270255
4-(4-methylphenoxy)-2-(2-methylphenyl)butanenitrile
CID 82137294
2-(2-fluorophenyl)-4-(2,4,5-trimethylphenoxy)butanenitrile
CID 82137279
4-(2-chloro-5-methylphenoxy)-2-(4-methylphenyl)butanenitrile
CID 82137047

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile?
The IUPAC name of 4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile (CID 82137872) is 4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile is Cc1ccc(OCCC(C#N)c2cc(C)ccc2C)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile?
The InChIKey is CXMBGXUPTICIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-14-6-8-20(17(4)11-14)22-10-9-18(13-21)19-12-15(2)5-7-16(19)3/h5-8,11-12,18H,9-10H2,1-4H3.
What are the key properties of 4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile?
4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile has a molecular weight of 293.41 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile is sourced from PubChem (CID 82137872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).