2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile

C17H17NO2 — CID 107928298

IUPAC2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile
SMILESCCc1ccc(Oc2ccc(C)cc2C#N)c(OC)c1
InChIInChI=1S/C17H17NO2/c1-4-13-6-8-16(17(10-13)19-3)20-15-7-5-12(2)9-14(15)11-18/h5-10H,4H2,1-3H3
InChIKeyQATLASBJMCICKS-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.23
Rot. Bonds4

About 2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile

2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile (PubChem CID 107928298) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile
PubChem CID107928298
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile
SMILESCCc1ccc(Oc2ccc(C)cc2C#N)c(OC)c1
InChIInChI=1S/C17H17NO2/c1-4-13-6-8-16(17(10-13)19-3)20-15-7-5-12(2)9-14(15)11-18/h5-10H,4H2,1-3H3
InChIKeyQATLASBJMCICKS-UHFFFAOYSA-N
XLogP4.23
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-2-nitrophenoxy)-5-methylbenzonitrile
CID 107928213
1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene
CID 59191286
2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile
CID 62303478
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070
5-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzonitrile
CID 107743036
2-[4-(cyanomethyl)phenoxy]-5-methylbenzonitrile
CID 107928072
4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzonitrile
CID 107743034
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
CID 107928144
2-(4-fluoro-2-methylphenoxy)-5-methylbenzonitrile
CID 114017002
5-methyl-2-(3-methylphenoxy)benzonitrile
CID 107928086
2-(4-ethylphenoxy)-4-methoxybenzonitrile
CID 81306042

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile?
The IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile (CID 107928298) is 2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile.
What is the SMILES notation for 2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile?
The canonical SMILES for 2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile is CCc1ccc(Oc2ccc(C)cc2C#N)c(OC)c1.
What is the InChIKey of 2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile?
The InChIKey is QATLASBJMCICKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-4-13-6-8-16(17(10-13)19-3)20-15-7-5-12(2)9-14(15)11-18/h5-10H,4H2,1-3H3.
What are the key properties of 2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile?
2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile has a molecular weight of 267.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile is sourced from PubChem (CID 107928298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).