1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine

C20H16N2O3 — CID 126218574

IUPAC1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESO=[N+]([O-])c1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C20H16N2O3/c23-22(24)19-10-6-17(7-11-19)15-25-20-12-8-16(9-13-20)14-21-18-4-2-1-3-5-18/h1-14H,15H2/b21-14+
InChIKeyQMMPTHZWFWIWOQ-KGENOOAVSA-N
MW332.36 g/mol
LogP4.92
Rot. Bonds6

About 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine

1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine (PubChem CID 126218574) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine
PubChem CID126218574
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESO=[N+]([O-])c1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1
InChIInChI=1S/C20H16N2O3/c23-22(24)19-10-6-17(7-11-19)15-25-20-12-8-16(9-13-20)14-21-18-4-2-1-3-5-18/h1-14H,15H2/b21-14+
InChIKeyQMMPTHZWFWIWOQ-KGENOOAVSA-N
XLogP4.92
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126217743
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
4-[(4-nitrophenyl)methoxy]benzaldehyde
CID 735836
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
2-anilino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126380906
N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 23343969
1-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126206905
1-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126208356
1-(4-nitrophenyl)-N-(3-phenylphenyl)methanimine
CID 102486520
(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
2-bromo-N-[(E)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245239

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine (CID 126218574) is 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine is O=[N+]([O-])c1ccc(COc2ccc(/C=N/c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine?
The InChIKey is QMMPTHZWFWIWOQ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-22(24)19-10-6-17(7-11-19)15-25-20-12-8-16(9-13-20)14-21-18-4-2-1-3-5-18/h1-14H,15H2/b21-14+.
What are the key properties of 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine?
1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine has a molecular weight of 332.36 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine is sourced from PubChem (CID 126218574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).