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

C22H19NO3 — CID 20992555

IUPAC4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile
SMILESCOc1ccc(C#N)cc1OCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-24-21-12-7-17(16-23)15-22(21)26-14-13-25-20-10-8-19(9-11-20)18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3
InChIKeyNSLGMUILPPDXLV-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.69
Rot. Bonds7

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

4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile (PubChem CID 20992555) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile
PubChem CID20992555
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile
SMILESCOc1ccc(C#N)cc1OCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-24-21-12-7-17(16-23)15-22(21)26-14-13-25-20-10-8-19(9-11-20)18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3
InChIKeyNSLGMUILPPDXLV-UHFFFAOYSA-N
XLogP4.69
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 4808212
3-[2-(2-ethoxyphenoxy)ethoxy]-4-methoxybenzonitrile
CID 20993127
4-methoxy-3-[2-(2-prop-2-enylphenoxy)ethoxy]benzonitrile
CID 20985770
3-butoxy-4-methoxybenzonitrile
CID 147818177
3-methoxy-4-[2-[3-(1,3-thiazol-5-yl)phenoxy]ethoxy]benzonitrile
CID 138471277
4-[4-[7-[2-[7-[4-[4-[7-[2-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenoxy]heptoxy]phenyl]benzonitrile
CID 102084171
3-methoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzonitrile
CID 20991956
4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
CID 117053030
2-[3-methoxy-4-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22686959
4-(3,4-dimethoxyphenyl)benzonitrile
CID 11195791
4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile
CID 51142108
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile?
The IUPAC name of 4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile (CID 20992555) is 4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile.
What is the SMILES notation for 4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile?
The canonical SMILES for 4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile is COc1ccc(C#N)cc1OCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile?
The InChIKey is NSLGMUILPPDXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-24-21-12-7-17(16-23)15-22(21)26-14-13-25-20-10-8-19(9-11-20)18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3.
What are the key properties of 4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile?
4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile has a molecular weight of 345.40 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(4-phenylphenoxy)ethoxy]benzonitrile is sourced from PubChem (CID 20992555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).