2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile

C17H15NO3 — CID 43366521

IUPAC2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile
SMILESCCOc1cccc(C=O)c1OCc1ccccc1C#N
InChIInChI=1S/C17H15NO3/c1-2-20-16-9-5-8-14(11-19)17(16)21-12-15-7-4-3-6-13(15)10-18/h3-9,11H,2,12H2,1H3
InChIKeyFCDSXLZTCTUEPA-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.35
Rot. Bonds6

About 2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile

2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile (PubChem CID 43366521) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile
PubChem CID43366521
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile
SMILESCCOc1cccc(C=O)c1OCc1ccccc1C#N
InChIInChI=1S/C17H15NO3/c1-2-20-16-9-5-8-14(11-19)17(16)21-12-15-7-4-3-6-13(15)10-18/h3-9,11H,2,12H2,1H3
InChIKeyFCDSXLZTCTUEPA-UHFFFAOYSA-N
XLogP3.35
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(bromomethyl)-6-ethoxyphenoxy]methyl]benzonitrile
CID 43366847
4-(2-ethoxy-6-formylphenoxy)butanenitrile
CID 43366511
2-[(2-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688243
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde
CID 43174566
2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
CID 43174574
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
CID 43366508
2-[(2-bromophenyl)methoxy]-3-methoxybenzaldehyde
CID 1253349
3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 43366478
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491
3-ethoxy-2-sulfanylbenzonitrile
CID 91874372

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile?
The IUPAC name of 2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile (CID 43366521) is 2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile.
What is the SMILES notation for 2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile?
The canonical SMILES for 2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile is CCOc1cccc(C=O)c1OCc1ccccc1C#N.
What is the InChIKey of 2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile?
The InChIKey is FCDSXLZTCTUEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-20-16-9-5-8-14(11-19)17(16)21-12-15-7-4-3-6-13(15)10-18/h3-9,11H,2,12H2,1H3.
What are the key properties of 2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile?
2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile has a molecular weight of 281.31 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile is sourced from PubChem (CID 43366521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).