2-dibenzofuran-2-yloxy-5-nitrobenzonitrile

C19H10N2O4 — CID 4280555

IUPAC2-dibenzofuran-2-yloxy-5-nitrobenzonitrile
SMILESN#Cc1cc([N+](=O)[O-])ccc1Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H10N2O4/c20-11-12-9-13(21(22)23)5-7-17(12)24-14-6-8-19-16(10-14)15-3-1-2-4-18(15)25-19/h1-10H
InChIKeyOHMHLPCXBZGBJD-UHFFFAOYSA-N
MW330.30 g/mol
LogP5.16
Rot. Bonds3

About 2-dibenzofuran-2-yloxy-5-nitrobenzonitrile

2-dibenzofuran-2-yloxy-5-nitrobenzonitrile (PubChem CID 4280555) has the molecular formula C19H10N2O4 and a molecular weight of 330.30 g/mol. Its IUPAC name is 2-dibenzofuran-2-yloxy-5-nitrobenzonitrile.

Molecular Properties

Compound Name2-dibenzofuran-2-yloxy-5-nitrobenzonitrile
PubChem CID4280555
Molecular FormulaC19H10N2O4
Molecular Weight330.30 g/mol
Exact Mass330.06
IUPAC Name2-dibenzofuran-2-yloxy-5-nitrobenzonitrile
SMILESN#Cc1cc([N+](=O)[O-])ccc1Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C19H10N2O4/c20-11-12-9-13(21(22)23)5-7-17(12)24-14-6-8-19-16(10-14)15-3-1-2-4-18(15)25-19/h1-10H
InChIKeyOHMHLPCXBZGBJD-UHFFFAOYSA-N
XLogP5.16
TPSA89.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.30
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzofuran-2-yloxybenzonitrile
CID 146374193
2-(4-anilinophenoxy)-5-nitrobenzonitrile
CID 18280891
2-(3-formylphenoxy)-5-nitrobenzonitrile
CID 9281359
dibenzofuran-2-yl 2-chloro-5-nitrobenzenesulfonate
CID 7573620
2-(2-iodophenoxy)-5-nitrobenzonitrile
CID 47280369
2-dibenzofuran-2-yl-8-dibenzofuran-2-yloxydibenzofuran
CID 90250402
2-(3-methoxy-5-methylphenoxy)-5-nitrobenzonitrile
CID 143108304
methane;4-nitrobenzene-1,2-dicarbonitrile;4-phenylphenol;4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile
CID 160767695
2-(2-chloro-4-nitrophenoxy)-5-nitrobenzonitrile
CID 4269103
5-nitro-2-[2-(trifluoromethyl)quinolin-7-yl]oxybenzonitrile
CID 47079122
2-methyl-4-(2-methyl-5-nitrophenoxy)benzonitrile
CID 81282527
4-(2-methoxy-5-nitrophenoxy)-2-methylbenzonitrile
CID 81273441

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yloxy-5-nitrobenzonitrile?
The IUPAC name of 2-dibenzofuran-2-yloxy-5-nitrobenzonitrile (CID 4280555) is 2-dibenzofuran-2-yloxy-5-nitrobenzonitrile.
What is the SMILES notation for 2-dibenzofuran-2-yloxy-5-nitrobenzonitrile?
The canonical SMILES for 2-dibenzofuran-2-yloxy-5-nitrobenzonitrile is N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 2-dibenzofuran-2-yloxy-5-nitrobenzonitrile?
The InChIKey is OHMHLPCXBZGBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N2O4/c20-11-12-9-13(21(22)23)5-7-17(12)24-14-6-8-19-16(10-14)15-3-1-2-4-18(15)25-19/h1-10H.
What are the key properties of 2-dibenzofuran-2-yloxy-5-nitrobenzonitrile?
2-dibenzofuran-2-yloxy-5-nitrobenzonitrile has a molecular weight of 330.30 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yloxy-5-nitrobenzonitrile is sourced from PubChem (CID 4280555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).