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

C18H18FNO6 — CID 24859344

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

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

5-[(E)-1-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene (PubChem CID 24859344) has the molecular formula C18H18FNO6 and a molecular weight of 363.34 g/mol. Its IUPAC name is 5-[(E)-1-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[(E)-1-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene
PubChem CID24859344
Molecular FormulaC18H18FNO6
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name5-[(E)-1-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(/C=C(/F)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H18FNO6/c1-23-15-6-5-11(8-14(15)20(21)22)7-13(19)12-9-16(24-2)18(26-4)17(10-12)25-3/h5-10H,1-4H3/b13-7+
InChIKeyKIXSZXOSDLWBNF-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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Related Compounds

AC-7739 free base
CID 9796936
2-methoxy-1,3-dinitro-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 24854188
2',3'-Dinitro-3,4,4',5-tetramethoxy-(Z)-stilbene
CID 24854190
2-(Difluoromethoxy)-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 145951825
5-[2,2-Difluoro-1-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyaniline
CID 145959615
1-(3-Nitrophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 5346492
AC-7739
CID 9798564
(E)-3-(3-amino-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-prop-2-enenitrile
CID 9840884
(E)-3-(4-Methoxy-3-nitro-phenyl)-2-methyl-1-(3,4,5-trimethoxy-phenyl)-propenone
CID 10157011
Cis-3,4',5-trimethoxy-3'-aminostilbene
CID 10446642
(Z)-1,2,3-trimethoxy-5-(4-methoxy-3-nitrostyryl)benzene
CID 10617491
(E)-3-(3-nitro-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-prop-2-ene-nitrile
CID 10666833

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[(E)-1-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene (CID 24859344) is 5-[(E)-1-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[(E)-1-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[(E)-1-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene is COc1ccc(/C=C(/F)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-].
What is the InChIKey of 5-[(E)-1-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene?
The InChIKey is KIXSZXOSDLWBNF-NTUHNPAUSA-N. The full InChI is InChI=1S/C18H18FNO6/c1-23-15-6-5-11(8-14(15)20(21)22)7-13(19)12-9-16(24-2)18(26-4)17(10-12)25-3/h5-10H,1-4H3/b13-7+.
What are the key properties of 5-[(E)-1-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene?
5-[(E)-1-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)-1-fluoro-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 24859344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).