4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile

C11H11NO2 — CID 101247472

IUPAC4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile
SMILESCO/C=C/c1cc(OC)ccc1C#N
InChIInChI=1S/C11H11NO2/c1-13-6-5-9-7-11(14-2)4-3-10(9)8-12/h3-7H,1-2H3/b6-5+
InChIKeyFKDPDGXRFVXTDE-AATRIKPKSA-N
MW189.21 g/mol
LogP2.18
Rot. Bonds3

About 4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile

4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile (PubChem CID 101247472) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile
PubChem CID101247472
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile
SMILESCO/C=C/c1cc(OC)ccc1C#N
InChIInChI=1S/C11H11NO2/c1-13-6-5-9-7-11(14-2)4-3-10(9)8-12/h3-7H,1-2H3/b6-5+
InChIKeyFKDPDGXRFVXTDE-AATRIKPKSA-N
XLogP2.18
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile?
The IUPAC name of 4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile (CID 101247472) is 4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile.
What is the SMILES notation for 4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile?
The canonical SMILES for 4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile is CO/C=C/c1cc(OC)ccc1C#N.
What is the InChIKey of 4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile?
The InChIKey is FKDPDGXRFVXTDE-AATRIKPKSA-N. The full InChI is InChI=1S/C11H11NO2/c1-13-6-5-9-7-11(14-2)4-3-10(9)8-12/h3-7H,1-2H3/b6-5+.
What are the key properties of 4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile?
4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile has a molecular weight of 189.21 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(E)-2-methoxyethenyl]benzonitrile is sourced from PubChem (CID 101247472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).