3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile

C11H13NO2 — CID 170626682

IUPAC3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)COc1ccc(O)cc1
InChIInChI=1S/C11H13NO2/c1-11(2,7-12)8-14-10-5-3-9(13)4-6-10/h3-6,13H,8H2,1-2H3
InChIKeyQWNNGIKJQGMQJZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.32
Rot. Bonds3

About 3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile

3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile (PubChem CID 170626682) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile.

Molecular Properties

Compound Name3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile
PubChem CID170626682
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile
SMILESCC(C)(C#N)COc1ccc(O)cc1
InChIInChI=1S/C11H13NO2/c1-11(2,7-12)8-14-10-5-3-9(13)4-6-10/h3-6,13H,8H2,1-2H3
InChIKeyQWNNGIKJQGMQJZ-UHFFFAOYSA-N
XLogP2.32
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-3,5-dimethylphenoxy)-2,2-dimethylpropanenitrile
CID 126592077
2-amino-3-(4-hydroxyphenoxy)-2-methylpropanoic acid
CID 91976642
4-[4-(1-hydroxypropyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65253612
4-[(2R)-3-chloro-2-hydroxy-2-methylbut-3-enoxy]benzonitrile
CID 121248303
4-(4-chlorophenoxy)-2,2-dimethylbutanenitrile
CID 65251873
cyanic acid;4-methoxyphenol
CID 172812844
2,2-dimethyl-4-phenoxybutanenitrile
CID 65251813
4-(2-amino-3,3-dimethylbutoxy)phenol
CID 117242306
4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzonitrile
CID 10863286
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanenitrile
CID 82085345
4-[4-(bromomethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65253458
6-(4-aminophenoxy)-2,2-dimethylhexanenitrile
CID 106708279

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile?
The IUPAC name of 3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile (CID 170626682) is 3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile.
What is the SMILES notation for 3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile?
The canonical SMILES for 3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile is CC(C)(C#N)COc1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile?
The InChIKey is QWNNGIKJQGMQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2,7-12)8-14-10-5-3-9(13)4-6-10/h3-6,13H,8H2,1-2H3.
What are the key properties of 3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile?
3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile has a molecular weight of 191.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenoxy)-2,2-dimethylpropanenitrile is sourced from PubChem (CID 170626682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).