4-ethoxy-2-propan-2-yloxybenzonitrile

C12H15NO2 — CID 22721205

IUPAC4-ethoxy-2-propan-2-yloxybenzonitrile
SMILESCCOc1ccc(C#N)c(OC(C)C)c1
InChIInChI=1S/C12H15NO2/c1-4-14-11-6-5-10(8-13)12(7-11)15-9(2)3/h5-7,9H,4H2,1-3H3
InChIKeyKZAUKTKXSZZHDM-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.74
Rot. Bonds4

About 4-ethoxy-2-propan-2-yloxybenzonitrile

4-ethoxy-2-propan-2-yloxybenzonitrile (PubChem CID 22721205) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-ethoxy-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name4-ethoxy-2-propan-2-yloxybenzonitrile
PubChem CID22721205
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-ethoxy-2-propan-2-yloxybenzonitrile
SMILESCCOc1ccc(C#N)c(OC(C)C)c1
InChIInChI=1S/C12H15NO2/c1-4-14-11-6-5-10(8-13)12(7-11)15-9(2)3/h5-7,9H,4H2,1-3H3
InChIKeyKZAUKTKXSZZHDM-UHFFFAOYSA-N
XLogP2.74
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylbutoxy)-4-ethoxybenzonitrile
CID 170603623
4-amino-2-propan-2-yloxybenzonitrile
CID 131557509
ethane;propane;2-propan-2-yloxybenzonitrile
CID 145341858
4-methoxy-2-(4-methylpentan-2-yloxy)benzonitrile
CID 81306039
4,5-di(propan-2-yloxy)benzene-1,2-dicarbonitrile
CID 141478282
2-ethyl-5-propan-2-yloxypyridine-4-carbonitrile
CID 176999811
2-(1-chloro-2-oxopropyl)-4-ethoxybenzonitrile
CID 131325053
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711
(3-cyano-4-propan-2-yloxyphenoxy)boronic acid
CID 142790559
2-cyano-5-ethoxybenzenesulfonyl chloride
CID 71318479
2-bromo-4-propan-2-yloxybenzonitrile
CID 104573950
4-chloro-2-ethoxybenzonitrile
CID 22721189

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-propan-2-yloxybenzonitrile?
The IUPAC name of 4-ethoxy-2-propan-2-yloxybenzonitrile (CID 22721205) is 4-ethoxy-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 4-ethoxy-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 4-ethoxy-2-propan-2-yloxybenzonitrile is CCOc1ccc(C#N)c(OC(C)C)c1.
What is the InChIKey of 4-ethoxy-2-propan-2-yloxybenzonitrile?
The InChIKey is KZAUKTKXSZZHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-14-11-6-5-10(8-13)12(7-11)15-9(2)3/h5-7,9H,4H2,1-3H3.
What are the key properties of 4-ethoxy-2-propan-2-yloxybenzonitrile?
4-ethoxy-2-propan-2-yloxybenzonitrile has a molecular weight of 205.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 22721205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).