4-(5-tert-butyl-2-methylphenoxy)benzonitrile

C18H19NO — CID 140898828

IUPAC4-(5-tert-butyl-2-methylphenoxy)benzonitrile
SMILESCc1ccc(C(C)(C)C)cc1Oc1ccc(C#N)cc1
InChIInChI=1S/C18H19NO/c1-13-5-8-15(18(2,3)4)11-17(13)20-16-9-6-14(12-19)7-10-16/h5-11H,1-4H3
InChIKeyJNPXJXYIFGIYJG-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.96
Rot. Bonds2

About 4-(5-tert-butyl-2-methylphenoxy)benzonitrile

4-(5-tert-butyl-2-methylphenoxy)benzonitrile (PubChem CID 140898828) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methylphenoxy)benzonitrile
PubChem CID140898828
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-(5-tert-butyl-2-methylphenoxy)benzonitrile
SMILESCc1ccc(C(C)(C)C)cc1Oc1ccc(C#N)cc1
InChIInChI=1S/C18H19NO/c1-13-5-8-15(18(2,3)4)11-17(13)20-16-9-6-14(12-19)7-10-16/h5-11H,1-4H3
InChIKeyJNPXJXYIFGIYJG-UHFFFAOYSA-N
XLogP4.96
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(chloromethyl)phenoxy]-4-methylbenzonitrile
CID 107659195
4-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]benzonitrile
CID 7505996
4-[(4-tert-butyl-2-methylphenoxy)methyl]benzonitrile
CID 43237648
4-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334432
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-cyanophenoxy)-4-methylphenyl]urea
CID 126674515
4-(3-fluoro-4-methylphenoxy)benzonitrile
CID 107169205
[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 105406659
4-(4-cyanophenoxy)-3-methylbenzoic acid
CID 55040112
4-(2-tert-butyl-4-ethylphenoxy)benzonitrile
CID 20989459
3-(5-cyano-2-methylphenoxy)benzoic acid
CID 107658929
4-[4-methoxy-2-(trifluoromethyl)phenoxy]benzonitrile
CID 66790483
4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile
CID 114417635

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methylphenoxy)benzonitrile?
The IUPAC name of 4-(5-tert-butyl-2-methylphenoxy)benzonitrile (CID 140898828) is 4-(5-tert-butyl-2-methylphenoxy)benzonitrile.
What is the SMILES notation for 4-(5-tert-butyl-2-methylphenoxy)benzonitrile?
The canonical SMILES for 4-(5-tert-butyl-2-methylphenoxy)benzonitrile is Cc1ccc(C(C)(C)C)cc1Oc1ccc(C#N)cc1.
What is the InChIKey of 4-(5-tert-butyl-2-methylphenoxy)benzonitrile?
The InChIKey is JNPXJXYIFGIYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-5-8-15(18(2,3)4)11-17(13)20-16-9-6-14(12-19)7-10-16/h5-11H,1-4H3.
What are the key properties of 4-(5-tert-butyl-2-methylphenoxy)benzonitrile?
4-(5-tert-butyl-2-methylphenoxy)benzonitrile has a molecular weight of 265.36 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methylphenoxy)benzonitrile is sourced from PubChem (CID 140898828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).