4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile

C19H10N2O3 — CID 169331994

IUPAC4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2ccc(-c3ccc(C=O)o3)cc2)cc1C#N
InChIInChI=1S/C19H10N2O3/c20-10-14-3-6-17(9-15(14)11-21)23-16-4-1-13(2-5-16)19-8-7-18(12-22)24-19/h1-9,12H
InChIKeyRLWQUMJQVKMVLP-UHFFFAOYSA-N
MW314.30 g/mol
LogP4.29
Rot. Bonds4

About 4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile

4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile (PubChem CID 169331994) has the molecular formula C19H10N2O3 and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile
PubChem CID169331994
Molecular FormulaC19H10N2O3
Molecular Weight314.30 g/mol
Exact Mass314.07
IUPAC Name4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2ccc(-c3ccc(C=O)o3)cc2)cc1C#N
InChIInChI=1S/C19H10N2O3/c20-10-14-3-6-17(9-15(14)11-21)23-16-4-1-13(2-5-16)19-8-7-18(12-22)24-19/h1-9,12H
InChIKeyRLWQUMJQVKMVLP-UHFFFAOYSA-N
XLogP4.29
TPSA87.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile (CID 169331994) is 4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile is N#Cc1ccc(Oc2ccc(-c3ccc(C=O)o3)cc2)cc1C#N.
What is the InChIKey of 4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile?
The InChIKey is RLWQUMJQVKMVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N2O3/c20-10-14-3-6-17(9-15(14)11-21)23-16-4-1-13(2-5-16)19-8-7-18(12-22)24-19/h1-9,12H.
What are the key properties of 4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile?
4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile has a molecular weight of 314.30 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-formylfuran-2-yl)phenoxy]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 169331994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).