(2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile

C14H19NO — CID 94156951

IUPAC(2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile
SMILESCc1cc(C(C)(C)C)ccc1O[C@H](C)C#N
InChIInChI=1S/C14H19NO/c1-10-8-12(14(3,4)5)6-7-13(10)16-11(2)9-15/h6-8,11H,1-5H3/t11-/m1/s1
InChIKeyOKQSDULMFBJJNI-LLVKDONJSA-N
MW217.31 g/mol
LogP3.58
Rot. Bonds2

About (2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile

(2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile (PubChem CID 94156951) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile.

Molecular Properties

Compound Name(2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile
PubChem CID94156951
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile
SMILESCc1cc(C(C)(C)C)ccc1O[C@H](C)C#N
InChIInChI=1S/C14H19NO/c1-10-8-12(14(3,4)5)6-7-13(10)16-11(2)9-15/h6-8,11H,1-5H3/t11-/m1/s1
InChIKeyOKQSDULMFBJJNI-LLVKDONJSA-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

3-(4-tert-butyl-2-methylphenoxy)-2-methylpropanenitrile
CID 43367500
(2S)-2-[4-[4-[(1R)-1-cyanoethoxy]-3-methylphenyl]sulfonyl-2-methylphenoxy]propanenitrile
CID 7844970
2-(4-tert-butyl-2-methylphenoxy)propanamide
CID 55023677
2-(2-tert-butyl-6-methylphenoxy)propanenitrile
CID 22688506
methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate
CID 94156912
2-(5-tert-butyl-2-methoxyphenyl)propanenitrile
CID 82079061
4-[(4-tert-butyl-2-methylphenoxy)methyl]benzonitrile
CID 43237648
(2S)-2-[4-bromo-2-(1,1-difluoroethyl)phenoxy]propanenitrile
CID 155413585
2-(1-cyanoethoxy)benzonitrile
CID 60644293
3-(4-tert-butyl-2-methylphenoxy)butanimidamide
CID 114997400
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanenitrile
CID 63651183
2-[2-(1-hydroxyethyl)-5-methylphenoxy]propanenitrile
CID 63650742

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile?
The IUPAC name of (2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile (CID 94156951) is (2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile.
What is the SMILES notation for (2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile?
The canonical SMILES for (2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile is Cc1cc(C(C)(C)C)ccc1O[C@H](C)C#N.
What is the InChIKey of (2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile?
The InChIKey is OKQSDULMFBJJNI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-8-12(14(3,4)5)6-7-13(10)16-11(2)9-15/h6-8,11H,1-5H3/t11-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile?
(2R)-2-(4-tert-butyl-2-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 (2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile is sourced from PubChem (CID 94156951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).