1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene

C17H16N2O7 — CID 11717446

IUPAC1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H16N2O7/c1-24-15-7-6-11(8-13(15)18(20)21)4-5-12-9-14(19(22)23)17(26-3)16(10-12)25-2/h4-10H,1-3H3/b5-4-
InChIKeyXAHIMGJZBSTTRA-PLNGDYQASA-N
MW360.32 g/mol
LogP3.70
Rot. Bonds7

About 1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene

1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene (PubChem CID 11717446) has the molecular formula C17H16N2O7 and a molecular weight of 360.32 g/mol. Its IUPAC name is 1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene.

Molecular Properties

Compound Name1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene
PubChem CID11717446
Molecular FormulaC17H16N2O7
Molecular Weight360.32 g/mol
Exact Mass360.10
IUPAC Name1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene
SMILESCOc1ccc(/C=C\c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H16N2O7/c1-24-15-7-6-11(8-13(15)18(20)21)4-5-12-9-14(19(22)23)17(26-3)16(10-12)25-2/h4-10H,1-3H3/b5-4-
InChIKeyXAHIMGJZBSTTRA-PLNGDYQASA-N
XLogP3.70
TPSA113.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene?
The IUPAC name of 1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene (CID 11717446) is 1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene.
What is the SMILES notation for 1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene?
The canonical SMILES for 1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene is COc1ccc(/C=C\c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-].
What is the InChIKey of 1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene?
The InChIKey is XAHIMGJZBSTTRA-PLNGDYQASA-N. The full InChI is InChI=1S/C17H16N2O7/c1-24-15-7-6-11(8-13(15)18(20)21)4-5-12-9-14(19(22)23)17(26-3)16(10-12)25-2/h4-10H,1-3H3/b5-4-.
What are the key properties of 1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene?
1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene has a molecular weight of 360.32 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-3-nitrobenzene is sourced from PubChem (CID 11717446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).