2-(2-tert-butyl-6-methylphenoxy)propanenitrile

C14H19NO — CID 22688506

IUPAC2-(2-tert-butyl-6-methylphenoxy)propanenitrile
SMILESCc1cccc(C(C)(C)C)c1OC(C)C#N
InChIInChI=1S/C14H19NO/c1-10-7-6-8-12(14(3,4)5)13(10)16-11(2)9-15/h6-8,11H,1-5H3
InChIKeyBBVHWXQEUWBCAN-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.58
Rot. Bonds2

About 2-(2-tert-butyl-6-methylphenoxy)propanenitrile

2-(2-tert-butyl-6-methylphenoxy)propanenitrile (PubChem CID 22688506) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2-tert-butyl-6-methylphenoxy)propanenitrile.

Molecular Properties

Compound Name2-(2-tert-butyl-6-methylphenoxy)propanenitrile
PubChem CID22688506
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(2-tert-butyl-6-methylphenoxy)propanenitrile
SMILESCc1cccc(C(C)(C)C)c1OC(C)C#N
InChIInChI=1S/C14H19NO/c1-10-7-6-8-12(14(3,4)5)13(10)16-11(2)9-15/h6-8,11H,1-5H3
InChIKeyBBVHWXQEUWBCAN-UHFFFAOYSA-N
XLogP3.58
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-1-Benzopyran-3-carbonitrile
CID 42438
Benzonitrile, 4-(allyloxy)-3,5-dimethyl-
CID 57639
(2-Methoxyphenyl)acetonitrile
CID 81496
1-(4-Methoxyphenyl)cyclohexanecarbonitrile
CID 98629
2-(Benzyloxy)benzonitrile
CID 2064024
p-tert-Butylphenetole
CID 28439
3,5-Di-tert-butyl-4-methoxytoluene
CID 150928
Benzene, 2-(1,1-dimethylethyl)-1-methoxy-4-methyl-
CID 162067
tert-Butylanisole
CID 270626
2,6-Diisopropylanisole
CID 600975
2-[4-(3-Methylbut-2-enoxy)phenyl]acetonitrile
CID 5315425
2-(4-Methoxyphenyl)-2-methylpropanenitrile
CID 219166

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-6-methylphenoxy)propanenitrile?
The IUPAC name of 2-(2-tert-butyl-6-methylphenoxy)propanenitrile (CID 22688506) is 2-(2-tert-butyl-6-methylphenoxy)propanenitrile.
What is the SMILES notation for 2-(2-tert-butyl-6-methylphenoxy)propanenitrile?
The canonical SMILES for 2-(2-tert-butyl-6-methylphenoxy)propanenitrile is Cc1cccc(C(C)(C)C)c1OC(C)C#N.
What is the InChIKey of 2-(2-tert-butyl-6-methylphenoxy)propanenitrile?
The InChIKey is BBVHWXQEUWBCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-7-6-8-12(14(3,4)5)13(10)16-11(2)9-15/h6-8,11H,1-5H3.
What are the key properties of 2-(2-tert-butyl-6-methylphenoxy)propanenitrile?
2-(2-tert-butyl-6-methylphenoxy)propanenitrile has a molecular weight of 217.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-6-methylphenoxy)propanenitrile is sourced from PubChem (CID 22688506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).