2-[2-(4-methylphenoxy)ethoxy]benzonitrile

C16H15NO2 — CID 22685251

IUPAC2-[2-(4-methylphenoxy)ethoxy]benzonitrile
SMILESCc1ccc(OCCOc2ccccc2C#N)cc1
InChIInChI=1S/C16H15NO2/c1-13-6-8-15(9-7-13)18-10-11-19-16-5-3-2-4-14(16)12-17/h2-9H,10-11H2,1H3
InChIKeyAQHIKNMBHYNZEU-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.32
Rot. Bonds5

About 2-[2-(4-methylphenoxy)ethoxy]benzonitrile

2-[2-(4-methylphenoxy)ethoxy]benzonitrile (PubChem CID 22685251) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[2-(4-methylphenoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(4-methylphenoxy)ethoxy]benzonitrile
PubChem CID22685251
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[2-(4-methylphenoxy)ethoxy]benzonitrile
SMILESCc1ccc(OCCOc2ccccc2C#N)cc1
InChIInChI=1S/C16H15NO2/c1-13-6-8-15(9-7-13)18-10-11-19-16-5-3-2-4-14(16)12-17/h2-9H,10-11H2,1H3
InChIKeyAQHIKNMBHYNZEU-UHFFFAOYSA-N
XLogP3.32
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile
CID 20994468
2-[3-(4-ethylphenoxy)propoxy]benzonitrile
CID 43289370
N'-[2-(2-cyanophenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 24645668
2-[2-(3-cyanophenoxy)ethoxy]benzonitrile
CID 43289478
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22685564
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-[3-(2-bromo-4-methylphenoxy)propoxy]benzonitrile
CID 43289636
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-[3-(2-butoxyethoxy)propoxy]benzonitrile
CID 43289686
3-[2-(4-methylphenoxy)ethoxy]benzonitrile
CID 22685151
2-[2-(2-phenylphenoxy)ethoxy]benzonitrile
CID 22685600

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenoxy)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(4-methylphenoxy)ethoxy]benzonitrile (CID 22685251) is 2-[2-(4-methylphenoxy)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(4-methylphenoxy)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(4-methylphenoxy)ethoxy]benzonitrile is Cc1ccc(OCCOc2ccccc2C#N)cc1.
What is the InChIKey of 2-[2-(4-methylphenoxy)ethoxy]benzonitrile?
The InChIKey is AQHIKNMBHYNZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-13-6-8-15(9-7-13)18-10-11-19-16-5-3-2-4-14(16)12-17/h2-9H,10-11H2,1H3.
What are the key properties of 2-[2-(4-methylphenoxy)ethoxy]benzonitrile?
2-[2-(4-methylphenoxy)ethoxy]benzonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenoxy)ethoxy]benzonitrile is sourced from PubChem (CID 22685251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).