3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile

C17H17NO3 — CID 60656824

IUPAC3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile
SMILESCCOc1cc(C#N)ccc1OCc1ccccc1OC
InChIInChI=1S/C17H17NO3/c1-3-20-17-10-13(11-18)8-9-16(17)21-12-14-6-4-5-7-15(14)19-2/h4-10H,3,12H2,1-2H3
InChIKeyFBMWUWSVPOIOIC-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.54
Rot. Bonds6

About 3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile

3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile (PubChem CID 60656824) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile
PubChem CID60656824
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile
SMILESCCOc1cc(C#N)ccc1OCc1ccccc1OC
InChIInChI=1S/C17H17NO3/c1-3-20-17-10-13(11-18)8-9-16(17)21-12-14-6-4-5-7-15(14)19-2/h4-10H,3,12H2,1-2H3
InChIKeyFBMWUWSVPOIOIC-UHFFFAOYSA-N
XLogP3.54
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-ethoxyphenoxy)ethoxy]-4-methoxybenzonitrile
CID 20993127
4-[(4-bromo-2,5-dimethoxyphenyl)methoxy]-3-ethoxybenzonitrile
CID 18143067
4-[(2-chloro-5-fluorophenyl)methoxy]-3-ethoxybenzonitrile
CID 102616079
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzonitrile
CID 43231298
4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463
4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxybenzonitrile
CID 2985466
4-[(4-bromophenyl)methoxy]-3-ethoxybenzonitrile
CID 22681511
3-ethoxy-4-[(4-iodophenyl)methoxy]benzonitrile
CID 60650936
4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
CID 117053030
3-ethoxy-4-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 110005223
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
5-chloro-2-[(2-methoxyphenyl)methoxy]benzonitrile
CID 22661881

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile?
The IUPAC name of 3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile (CID 60656824) is 3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile.
What is the SMILES notation for 3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile?
The canonical SMILES for 3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile is CCOc1cc(C#N)ccc1OCc1ccccc1OC.
What is the InChIKey of 3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile?
The InChIKey is FBMWUWSVPOIOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-20-17-10-13(11-18)8-9-16(17)21-12-14-6-4-5-7-15(14)19-2/h4-10H,3,12H2,1-2H3.
What are the key properties of 3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile?
3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile has a molecular weight of 283.33 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[(2-methoxyphenyl)methoxy]benzonitrile is sourced from PubChem (CID 60656824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).