4-[(4-nitrophenyl)methoxy]benzonitrile

C14H10N2O3 — CID 2975341

IUPAC4-[(4-nitrophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H10N2O3/c15-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)16(17)18/h1-8H,10H2
InChIKeyUXTYLFFTVUASMN-UHFFFAOYSA-N
MW254.25 g/mol
LogP3.05
Rot. Bonds4

About 4-[(4-nitrophenyl)methoxy]benzonitrile

4-[(4-nitrophenyl)methoxy]benzonitrile (PubChem CID 2975341) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-[(4-nitrophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name4-[(4-nitrophenyl)methoxy]benzonitrile
PubChem CID2975341
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name4-[(4-nitrophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H10N2O3/c15-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)16(17)18/h1-8H,10H2
InChIKeyUXTYLFFTVUASMN-UHFFFAOYSA-N
XLogP3.05
TPSA76.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-nitrophenyl)methoxy]benzonitrile?
The IUPAC name of 4-[(4-nitrophenyl)methoxy]benzonitrile (CID 2975341) is 4-[(4-nitrophenyl)methoxy]benzonitrile.
What is the SMILES notation for 4-[(4-nitrophenyl)methoxy]benzonitrile?
The canonical SMILES for 4-[(4-nitrophenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[(4-nitrophenyl)methoxy]benzonitrile?
The InChIKey is UXTYLFFTVUASMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c15-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)16(17)18/h1-8H,10H2.
What are the key properties of 4-[(4-nitrophenyl)methoxy]benzonitrile?
4-[(4-nitrophenyl)methoxy]benzonitrile has a molecular weight of 254.25 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-nitrophenyl)methoxy]benzonitrile is sourced from PubChem (CID 2975341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).