5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene

C18H18FNO6 — CID 24859348

IUPAC5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(/C(F)=C\c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H18FNO6/c1-23-15-6-5-12(10-14(15)20(21)22)13(19)7-11-8-16(24-2)18(26-4)17(9-11)25-3/h5-10H,1-4H3/b13-7+
InChIKeyAZOCTXWMCZGHIJ-NTUHNPAUSA-N
MW363.34 g/mol
LogP4.10
Rot. Bonds7

About 5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene

5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 24859348) has the molecular formula C18H18FNO6 and a molecular weight of 363.34 g/mol. Its IUPAC name is 5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene
PubChem CID24859348
Molecular FormulaC18H18FNO6
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(/C(F)=C\c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H18FNO6/c1-23-15-6-5-12(10-14(15)20(21)22)13(19)7-11-8-16(24-2)18(26-4)17(9-11)25-3/h5-10H,1-4H3/b13-7+
InChIKeyAZOCTXWMCZGHIJ-NTUHNPAUSA-N
XLogP4.10
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene (CID 24859348) is 5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene is COc1ccc(/C(F)=C\c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-].
What is the InChIKey of 5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is AZOCTXWMCZGHIJ-NTUHNPAUSA-N. The full InChI is InChI=1S/C18H18FNO6/c1-23-15-6-5-12(10-14(15)20(21)22)13(19)7-11-8-16(24-2)18(26-4)17(9-11)25-3/h5-10H,1-4H3/b13-7+.
What are the key properties of 5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene?
5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene has a molecular weight of 363.34 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 24859348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).