4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile

C14H19NO — CID 65251986

IUPAC4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile
SMILESCCc1ccccc1OCCC(C)(C)C#N
InChIInChI=1S/C14H19NO/c1-4-12-7-5-6-8-13(12)16-10-9-14(2,3)11-15/h5-8H,4,9-10H2,1-3H3
InChIKeyHKLCVZVJNTYAND-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.57
Rot. Bonds5

About 4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile

4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile (PubChem CID 65251986) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile
PubChem CID65251986
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile
SMILESCCc1ccccc1OCCC(C)(C)C#N
InChIInChI=1S/C14H19NO/c1-4-12-7-5-6-8-13(12)16-10-9-14(2,3)11-15/h5-8H,4,9-10H2,1-3H3
InChIKeyHKLCVZVJNTYAND-UHFFFAOYSA-N
XLogP3.57
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2-aminopropyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65252386
4-(2-bromophenoxy)-2,2-dimethylbutanenitrile
CID 65253439
2,2-dimethyl-4-(2-nitrophenoxy)butanenitrile
CID 65256818
6-[2-(ethylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708767
5-(2-ethoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257214
2,2-dimethyl-4-phenoxybutanenitrile
CID 65251813
4-[2-(chloromethyl)-4-methylphenoxy]-2,2-dimethylbutanenitrile
CID 65253357
2-(2-ethylphenoxy)acetonitrile
CID 22688439
6-(2-methoxyphenoxy)-2,2-dimethylhexanenitrile
CID 106710361
4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile
CID 65250280
3-(3-cyano-3-methylbutoxy)-2-methylbenzoic acid
CID 82829300
2,2-dimethyl-6-(2-propanoylphenoxy)hexanenitrile
CID 106710594

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile?
The IUPAC name of 4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile (CID 65251986) is 4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile is CCc1ccccc1OCCC(C)(C)C#N.
What is the InChIKey of 4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile?
The InChIKey is HKLCVZVJNTYAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-12-7-5-6-8-13(12)16-10-9-14(2,3)11-15/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile?
4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile has a molecular weight of 217.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenoxy)-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65251986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).