2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile

C16H15NO3 — CID 22685564

IUPAC2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
SMILESCOc1cccc(OCCOc2ccccc2C#N)c1
InChIInChI=1S/C16H15NO3/c1-18-14-6-4-7-15(11-14)19-9-10-20-16-8-3-2-5-13(16)12-17/h2-8,11H,9-10H2,1H3
InChIKeySDRKVAQHVFLHRL-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.02
Rot. Bonds6

About 2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile

2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile (PubChem CID 22685564) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
PubChem CID22685564
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
SMILESCOc1cccc(OCCOc2ccccc2C#N)c1
InChIInChI=1S/C16H15NO3/c1-18-14-6-4-7-15(11-14)19-9-10-20-16-8-3-2-5-13(16)12-17/h2-8,11H,9-10H2,1H3
InChIKeySDRKVAQHVFLHRL-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-cyanophenoxy)ethoxy]benzonitrile
CID 43289478
5-chloro-2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22683934
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
2-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685251
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711
3-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 20987302
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
2-[2-(3-methoxyphenoxy)ethoxy]benzoic acid
CID 20990666
2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzonitrile
CID 20992087
3-methoxy-2-[2-(2-methylphenoxy)ethoxy]benzonitrile
CID 22681564
4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137692
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile (CID 22685564) is 2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile is COc1cccc(OCCOc2ccccc2C#N)c1.
What is the InChIKey of 2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile?
The InChIKey is SDRKVAQHVFLHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-18-14-6-4-7-15(11-14)19-9-10-20-16-8-3-2-5-13(16)12-17/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile?
2-[2-(3-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-(3-methoxyphenoxy)ethoxy]benzonitrile is sourced from PubChem (CID 22685564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).