2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile

C19H19NO3 — CID 112828122

IUPAC2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile
SMILESC=CCc1ccc(OCCOc2ccccc2C#N)c(OC)c1
InChIInChI=1S/C19H19NO3/c1-3-6-15-9-10-18(19(13-15)21-2)23-12-11-22-17-8-5-4-7-16(17)14-20/h3-5,7-10,13H,1,6,11-12H2,2H3
InChIKeyZLGKHHHZDBKADU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.75
Rot. Bonds8

About 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile

2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile (PubChem CID 112828122) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile
PubChem CID112828122
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile
SMILESC=CCc1ccc(OCCOc2ccccc2C#N)c(OC)c1
InChIInChI=1S/C19H19NO3/c1-3-6-15-9-10-18(19(13-15)21-2)23-12-11-22-17-8-5-4-7-16(17)14-20/h3-5,7-10,13H,1,6,11-12H2,2H3
InChIKeyZLGKHHHZDBKADU-UHFFFAOYSA-N
XLogP3.75
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
3-methoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzonitrile
CID 20991956
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
2-methoxy-1-[2-(4-nitrophenoxy)ethoxy]-4-prop-2-enylbenzene
CID 2289173
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene
CID 2283204
2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
CID 7442982

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile (CID 112828122) is 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile is C=CCc1ccc(OCCOc2ccccc2C#N)c(OC)c1.
What is the InChIKey of 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile?
The InChIKey is ZLGKHHHZDBKADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-6-15-9-10-18(19(13-15)21-2)23-12-11-22-17-8-5-4-7-16(17)14-20/h3-5,7-10,13H,1,6,11-12H2,2H3.
What are the key properties of 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile?
2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile has a molecular weight of 309.37 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]benzonitrile is sourced from PubChem (CID 112828122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).