2-(2-tert-butylphenoxy)-4-methylbenzonitrile

C18H19NO — CID 63510539

IUPAC2-(2-tert-butylphenoxy)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Oc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C18H19NO/c1-13-9-10-14(12-19)17(11-13)20-16-8-6-5-7-15(16)18(2,3)4/h5-11H,1-4H3
InChIKeyMMVBBXUCLUKPGG-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.96
Rot. Bonds2

About 2-(2-tert-butylphenoxy)-4-methylbenzonitrile

2-(2-tert-butylphenoxy)-4-methylbenzonitrile (PubChem CID 63510539) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-4-methylbenzonitrile.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-4-methylbenzonitrile
PubChem CID63510539
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(2-tert-butylphenoxy)-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(Oc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C18H19NO/c1-13-9-10-14(12-19)17(11-13)20-16-8-6-5-7-15(16)18(2,3)4/h5-11H,1-4H3
InChIKeyMMVBBXUCLUKPGG-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

2-(2-tert-butyl-5-methylphenoxy)-4-chlorobenzonitrile
CID 63513427
2-(2-tert-butylphenoxy)-5-fluorobenzonitrile
CID 63668027
4-bromo-2-(2-tert-butyl-4-methylphenoxy)benzonitrile
CID 114902345
5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 107928062
5-amino-2-(2-tert-butylphenoxy)benzonitrile
CID 61295995
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560
4-(2-tert-butyl-5-methylphenoxy)-2-methylbenzonitrile
CID 81273121
2-[2-(2-hydroxyethyl)phenoxy]-4-methylbenzonitrile
CID 107712429
2-(2-amino-5-methylphenoxy)benzonitrile
CID 43363961
2-(4-chloronaphthalen-1-yl)oxy-4-methylbenzonitrile
CID 63514488
2-(2-tert-butylphenoxy)-6-chlorobenzonitrile
CID 63510707
2-(2,4-difluorophenoxy)-4-methylbenzonitrile
CID 62303313

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-4-methylbenzonitrile?
The IUPAC name of 2-(2-tert-butylphenoxy)-4-methylbenzonitrile (CID 63510539) is 2-(2-tert-butylphenoxy)-4-methylbenzonitrile.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-4-methylbenzonitrile?
The canonical SMILES for 2-(2-tert-butylphenoxy)-4-methylbenzonitrile is Cc1ccc(C#N)c(Oc2ccccc2C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-4-methylbenzonitrile?
The InChIKey is MMVBBXUCLUKPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-9-10-14(12-19)17(11-13)20-16-8-6-5-7-15(16)18(2,3)4/h5-11H,1-4H3.
What are the key properties of 2-(2-tert-butylphenoxy)-4-methylbenzonitrile?
2-(2-tert-butylphenoxy)-4-methylbenzonitrile 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 2-(2-tert-butylphenoxy)-4-methylbenzonitrile is sourced from PubChem (CID 63510539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).