4-[1-(4-methoxyphenyl)ethoxy]benzonitrile

C16H15NO2 — CID 117052702

IUPAC4-[1-(4-methoxyphenyl)ethoxy]benzonitrile
SMILESCOc1ccc(C(C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H15NO2/c1-12(14-5-9-15(18-2)10-6-14)19-16-7-3-13(11-17)4-8-16/h3-10,12H,1-2H3
InChIKeyFGIGCLDCGRTFDX-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.71
Rot. Bonds4

About 4-[1-(4-methoxyphenyl)ethoxy]benzonitrile

4-[1-(4-methoxyphenyl)ethoxy]benzonitrile (PubChem CID 117052702) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)ethoxy]benzonitrile
PubChem CID117052702
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-[1-(4-methoxyphenyl)ethoxy]benzonitrile
SMILESCOc1ccc(C(C)Oc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H15NO2/c1-12(14-5-9-15(18-2)10-6-14)19-16-7-3-13(11-17)4-8-16/h3-10,12H,1-2H3
InChIKeyFGIGCLDCGRTFDX-UHFFFAOYSA-N
XLogP3.71
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy(13C)benzonitrile
CID 175991125
4-[1-(4-phenylmethoxyphenyl)ethoxy]benzonitrile
CID 19918506
4-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7503349
4-[(1S,2R)-1,2-dibromopropoxy]benzonitrile
CID 101236148
3-[1-(4-methoxyphenyl)ethyl]benzonitrile
CID 173090876
4-[(1S)-1-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyethyl]benzonitrile
CID 155460524
4-[1-(4-aminophenyl)ethoxy]-3-methoxybenzonitrile
CID 61261287
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984107
4-[1-(3,5-dimethoxyanilino)ethyl]benzonitrile
CID 43192810
O-[1-(4-methoxyphenyl)ethyl]hydroxylamine
CID 55269080
2-[1-(4-cyanophenyl)ethylamino]-4-methoxybenzonitrile
CID 81300170
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)ethoxy]benzonitrile?
The IUPAC name of 4-[1-(4-methoxyphenyl)ethoxy]benzonitrile (CID 117052702) is 4-[1-(4-methoxyphenyl)ethoxy]benzonitrile.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)ethoxy]benzonitrile?
The canonical SMILES for 4-[1-(4-methoxyphenyl)ethoxy]benzonitrile is COc1ccc(C(C)Oc2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)ethoxy]benzonitrile?
The InChIKey is FGIGCLDCGRTFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12(14-5-9-15(18-2)10-6-14)19-16-7-3-13(11-17)4-8-16/h3-10,12H,1-2H3.
What are the key properties of 4-[1-(4-methoxyphenyl)ethoxy]benzonitrile?
4-[1-(4-methoxyphenyl)ethoxy]benzonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)ethoxy]benzonitrile is sourced from PubChem (CID 117052702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).