3-(3-ethoxyphenoxy)benzonitrile

C15H13NO2 — CID 66843791

IUPAC3-(3-ethoxyphenoxy)benzonitrile
SMILESCCOc1cccc(Oc2cccc(C#N)c2)c1
InChIInChI=1S/C15H13NO2/c1-2-17-13-6-4-8-15(10-13)18-14-7-3-5-12(9-14)11-16/h3-10H,2H2,1H3
InChIKeyATQROTOVVPUKIO-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.75
Rot. Bonds4

About 3-(3-ethoxyphenoxy)benzonitrile

3-(3-ethoxyphenoxy)benzonitrile (PubChem CID 66843791) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(3-ethoxyphenoxy)benzonitrile.

Molecular Properties

Compound Name3-(3-ethoxyphenoxy)benzonitrile
PubChem CID66843791
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-(3-ethoxyphenoxy)benzonitrile
SMILESCCOc1cccc(Oc2cccc(C#N)c2)c1
InChIInChI=1S/C15H13NO2/c1-2-17-13-6-4-8-15(10-13)18-14-7-3-5-12(9-14)11-16/h3-10H,2H2,1H3
InChIKeyATQROTOVVPUKIO-UHFFFAOYSA-N
XLogP3.75
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenoxy)benzonitrile?
The IUPAC name of 3-(3-ethoxyphenoxy)benzonitrile (CID 66843791) is 3-(3-ethoxyphenoxy)benzonitrile.
What is the SMILES notation for 3-(3-ethoxyphenoxy)benzonitrile?
The canonical SMILES for 3-(3-ethoxyphenoxy)benzonitrile is CCOc1cccc(Oc2cccc(C#N)c2)c1.
What is the InChIKey of 3-(3-ethoxyphenoxy)benzonitrile?
The InChIKey is ATQROTOVVPUKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-2-17-13-6-4-8-15(10-13)18-14-7-3-5-12(9-14)11-16/h3-10H,2H2,1H3.
What are the key properties of 3-(3-ethoxyphenoxy)benzonitrile?
3-(3-ethoxyphenoxy)benzonitrile has a molecular weight of 239.27 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenoxy)benzonitrile is sourced from PubChem (CID 66843791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).