1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene

C18H18N2O8 — CID 24854190

IUPAC1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
SMILESCOc1cc(/C=C\c2ccc(OC)c([N+](=O)[O-])c2[N+](=O)[O-])cc(OC)c1OC
InChIInChI=1S/C18H18N2O8/c1-25-13-8-7-12(16(19(21)22)17(13)20(23)24)6-5-11-9-14(26-2)18(28-4)15(10-11)27-3/h5-10H,1-4H3/b6-5-
InChIKeyZOSHOAVGCNGEAX-WAYWQWQTSA-N
MW390.35 g/mol
LogP3.71
Rot. Bonds8

About 1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene

1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene (PubChem CID 24854190) has the molecular formula C18H18N2O8 and a molecular weight of 390.35 g/mol. Its IUPAC name is 1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
PubChem CID24854190
Molecular FormulaC18H18N2O8
Molecular Weight390.35 g/mol
Exact Mass390.11
IUPAC Name1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
SMILESCOc1cc(/C=C\c2ccc(OC)c([N+](=O)[O-])c2[N+](=O)[O-])cc(OC)c1OC
InChIInChI=1S/C18H18N2O8/c1-25-13-8-7-12(16(19(21)22)17(13)20(23)24)6-5-11-9-14(26-2)18(28-4)15(10-11)27-3/h5-10H,1-4H3/b6-5-
InChIKeyZOSHOAVGCNGEAX-WAYWQWQTSA-N
XLogP3.71
TPSA123.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
1,2,3-trimethoxy-5-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]benzene
CID 10616322
3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine
CID 22349249
1,2-dimethoxy-3-[(4-nitrophenyl)sulfonylmethyl]-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 158056126
1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene
CID 23803810
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
5-methyl-4-nitro-3-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2-oxazole
CID 57362990
(E)-3-(3,4-dimethoxy-5-nitrophenyl)-N-[2,3-dimethoxy-6-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359916
disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 58600722
2-methoxy-1-methyl-3-nitro-4-(2-phenylethenyl)benzene
CID 139827300
5-[(E)-2-[4-[(1E,3E)-4-[4-[(E)-2-(3,5-dimethyl-4-nitrophenyl)ethenyl]-2,5-dimethoxyphenyl]buta-1,3-dienyl]-2,5-dimethoxyphenyl]ethenyl]-1,3-dimethyl-2-nitrobenzene
CID 46227737
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 121315036

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene?
The IUPAC name of 1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene (CID 24854190) is 1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene is COc1cc(/C=C\c2ccc(OC)c([N+](=O)[O-])c2[N+](=O)[O-])cc(OC)c1OC.
What is the InChIKey of 1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene?
The InChIKey is ZOSHOAVGCNGEAX-WAYWQWQTSA-N. The full InChI is InChI=1S/C18H18N2O8/c1-25-13-8-7-12(16(19(21)22)17(13)20(23)24)6-5-11-9-14(26-2)18(28-4)15(10-11)27-3/h5-10H,1-4H3/b6-5-.
What are the key properties of 1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene?
1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene has a molecular weight of 390.35 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 24854190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).