2-[3-(4-ethylphenoxy)propoxy]benzonitrile

C18H19NO2 — CID 43289370

IUPAC2-[3-(4-ethylphenoxy)propoxy]benzonitrile
SMILESCCc1ccc(OCCCOc2ccccc2C#N)cc1
InChIInChI=1S/C18H19NO2/c1-2-15-8-10-17(11-9-15)20-12-5-13-21-18-7-4-3-6-16(18)14-19/h3-4,6-11H,2,5,12-13H2,1H3
InChIKeyFJRLGLGMJAPXMZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.97
Rot. Bonds7

About 2-[3-(4-ethylphenoxy)propoxy]benzonitrile

2-[3-(4-ethylphenoxy)propoxy]benzonitrile (PubChem CID 43289370) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[3-(4-ethylphenoxy)propoxy]benzonitrile.

Molecular Properties

Compound Name2-[3-(4-ethylphenoxy)propoxy]benzonitrile
PubChem CID43289370
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-[3-(4-ethylphenoxy)propoxy]benzonitrile
SMILESCCc1ccc(OCCCOc2ccccc2C#N)cc1
InChIInChI=1S/C18H19NO2/c1-2-15-8-10-17(11-9-15)20-12-5-13-21-18-7-4-3-6-16(18)14-19/h3-4,6-11H,2,5,12-13H2,1H3
InChIKeyFJRLGLGMJAPXMZ-UHFFFAOYSA-N
XLogP3.97
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.97
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-methylphenoxy)ethoxy]benzonitrile
CID 22685251
2-[3-(2-butoxyethoxy)propoxy]benzonitrile
CID 43289686
[2-[3-(4-ethylphenoxy)propoxy]phenyl]methanamine
CID 43254053
2-[3-(3,5-difluorophenoxy)propoxy]benzonitrile
CID 62785228
2-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethoxy]benzonitrile
CID 20994468
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-[2-(3-cyanophenoxy)ethoxy]benzonitrile
CID 43289478
2-(5-chloropentoxy)benzonitrile
CID 43348424
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
2-[2-(3-methoxyphenoxy)ethoxy]benzonitrile
CID 22685564
2-phenylmethoxybenzonitrile;propane
CID 142369146
2-(3-prop-2-ynoxypropoxy)benzonitrile
CID 43289788

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenoxy)propoxy]benzonitrile?
The IUPAC name of 2-[3-(4-ethylphenoxy)propoxy]benzonitrile (CID 43289370) is 2-[3-(4-ethylphenoxy)propoxy]benzonitrile.
What is the SMILES notation for 2-[3-(4-ethylphenoxy)propoxy]benzonitrile?
The canonical SMILES for 2-[3-(4-ethylphenoxy)propoxy]benzonitrile is CCc1ccc(OCCCOc2ccccc2C#N)cc1.
What is the InChIKey of 2-[3-(4-ethylphenoxy)propoxy]benzonitrile?
The InChIKey is FJRLGLGMJAPXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-15-8-10-17(11-9-15)20-12-5-13-21-18-7-4-3-6-16(18)14-19/h3-4,6-11H,2,5,12-13H2,1H3.
What are the key properties of 2-[3-(4-ethylphenoxy)propoxy]benzonitrile?
2-[3-(4-ethylphenoxy)propoxy]benzonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenoxy)propoxy]benzonitrile is sourced from PubChem (CID 43289370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).