2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile

C16H15NO3 — CID 20987769

IUPAC2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
SMILESCOc1ccccc1OCCOc1ccccc1C#N
InChIInChI=1S/C16H15NO3/c1-18-15-8-4-5-9-16(15)20-11-10-19-14-7-3-2-6-13(14)12-17/h2-9H,10-11H2,1H3
InChIKeyLPXIHULRRNNBEF-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.02
Rot. Bonds6

About 2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile

2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile (PubChem CID 20987769) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
PubChem CID20987769
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
SMILESCOc1ccccc1OCCOc1ccccc1C#N
InChIInChI=1S/C16H15NO3/c1-18-15-8-4-5-9-16(15)20-11-10-19-14-7-3-2-6-13(14)12-17/h2-9H,10-11H2,1H3
InChIKeyLPXIHULRRNNBEF-UHFFFAOYSA-N
XLogP3.02
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.02
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

2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22685564
2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile
CID 112828122
2-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685251
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-(methoxymethoxy)benzonitrile
CID 10352018
3-methoxy-2-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 22681564
2-[2-(2-phenylphenoxy)ethoxy]benzonitrile
CID 22685600
2-[3-(3-methoxypropylsulfanyl)propoxy]benzonitrile
CID 63856464
2-(5-chloropentoxy)benzonitrile
CID 43348424
2-(3,3-difluorobutoxy)benzonitrile
CID 84678204
2-(3-fluoro-3-methylbutoxy)benzonitrile
CID 84675148
2-[2-(2-methylpentoxy)ethoxy]benzonitrile
CID 103283780

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile (CID 20987769) is 2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile is COc1ccccc1OCCOc1ccccc1C#N.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile?
The InChIKey is LPXIHULRRNNBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-18-15-8-4-5-9-16(15)20-11-10-19-14-7-3-2-6-13(14)12-17/h2-9H,10-11H2,1H3.
What are the key properties of 2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile?
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile has a molecular weight of 269.30 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile is sourced from PubChem (CID 20987769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).