4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene

C15H14INO3 — CID 65490146

IUPAC4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene
SMILESCCc1ccc(OCc2ccc(I)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14INO3/c1-2-11-5-8-15(14(9-11)17(18)19)20-10-12-3-6-13(16)7-4-12/h3-9H,2,10H2,1H3
InChIKeyIJEPMWSKXVKQFK-UHFFFAOYSA-N
MW383.19 g/mol
LogP4.34
Rot. Bonds5

About 4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene

4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene (PubChem CID 65490146) has the molecular formula C15H14INO3 and a molecular weight of 383.19 g/mol. Its IUPAC name is 4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene.

Molecular Properties

Compound Name4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene
PubChem CID65490146
Molecular FormulaC15H14INO3
Molecular Weight383.19 g/mol
Exact Mass383.00
IUPAC Name4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene
SMILESCCc1ccc(OCc2ccc(I)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14INO3/c1-2-11-5-8-15(14(9-11)17(18)19)20-10-12-3-6-13(16)7-4-12/h3-9H,2,10H2,1H3
InChIKeyIJEPMWSKXVKQFK-UHFFFAOYSA-N
XLogP4.34
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

4-fluoro-1-[(4-iodophenyl)methoxy]-2-nitrobenzene
CID 65491329
4-ethyl-1-(2-methoxyethoxy)-2-nitrobenzene
CID 56791150
4-ethyl-2-nitro-1-phenylmethoxybenzene;N-propylbutan-1-amine
CID 70392196
1-(4-ethyl-2-nitrophenoxy)propan-2-amine
CID 102689380
4-ethyl-2-nitro-1-pent-4-ynoxybenzene
CID 112548324
1-ethenoxy-4-ethyl-2-nitrobenzene
CID 66367399
(3-nitro-4-phenylmethoxyphenyl)methanamine
CID 43319706
4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-nitrobenzene
CID 43141653
4-bromo-1-[(4-methylphenyl)methoxy]-2-nitrobenzene
CID 143874994
2-[(4-ethyl-2-nitrophenoxy)methyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 56791153
CID 154661760
CID 154661760
N-[(3-nitro-4-phenylmethoxyphenyl)methyl]-1-phenylmethanamine
CID 69126091

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene?
The IUPAC name of 4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene (CID 65490146) is 4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene.
What is the SMILES notation for 4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene?
The canonical SMILES for 4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene is CCc1ccc(OCc2ccc(I)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene?
The InChIKey is IJEPMWSKXVKQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INO3/c1-2-11-5-8-15(14(9-11)17(18)19)20-10-12-3-6-13(16)7-4-12/h3-9H,2,10H2,1H3.
What are the key properties of 4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene?
4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene has a molecular weight of 383.19 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-iodophenyl)methoxy]-2-nitrobenzene is sourced from PubChem (CID 65490146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).