2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene

C17H18N2O10 — CID 71371782

IUPAC2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene
SMILESCOc1cc(OC)c([N+](=O)[O-])c(OC)c1Oc1cc(OC)c([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C17H18N2O10/c1-24-10-6-9(7-11(25-2)14(10)18(20)21)29-16-13(27-4)8-12(26-3)15(19(22)23)17(16)28-5/h6-8H,1-5H3
InChIKeyMXAVHENAECNDDN-UHFFFAOYSA-N
MW410.34 g/mol
LogP3.34
Rot. Bonds9

About 2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene

2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene (PubChem CID 71371782) has the molecular formula C17H18N2O10 and a molecular weight of 410.34 g/mol. Its IUPAC name is 2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene.

Molecular Properties

Compound Name2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene
PubChem CID71371782
Molecular FormulaC17H18N2O10
Molecular Weight410.34 g/mol
Exact Mass410.10
IUPAC Name2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene
SMILESCOc1cc(OC)c([N+](=O)[O-])c(OC)c1Oc1cc(OC)c([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C17H18N2O10/c1-24-10-6-9(7-11(25-2)14(10)18(20)21)29-16-13(27-4)8-12(26-3)15(19(22)23)17(16)28-5/h6-8H,1-5H3
InChIKeyMXAVHENAECNDDN-UHFFFAOYSA-N
XLogP3.34
TPSA141.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethoxy-2-nitrobenzene
CID 518903
2,3,5-trimethoxy-6-nitrobenzaldehyde
CID 66545581
3,4,5-trimethoxy-2-nitrobenzaldehyde
CID 18697918
2-(3,5-dimethoxy-4-nitrophenoxy)benzoic acid
CID 175372250
3,5-dimethoxy-2-nitrophenol
CID 10965507
1-fluoro-3,5-dimethoxy-2-nitrobenzene
CID 71490874
1-bromo-4-methoxy-3-nitro-2-phenoxybenzene
CID 118093960
1,2,3-trimethoxy-4,5,6-trinitrobenzene
CID 15386969
3,4,5-trimethoxy-N-methyl-2-nitrobenzamide
CID 46786337
3,5-dimethoxy-2-nitrobenzoic acid
CID 7472021
4,5-dimethoxy-2,3-dinitrobenzoic acid
CID 131843904
3,5-dimethoxy-2-nitrobenzoyl chloride
CID 14604499

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene?
The IUPAC name of 2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene (CID 71371782) is 2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene.
What is the SMILES notation for 2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene?
The canonical SMILES for 2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene is COc1cc(OC)c([N+](=O)[O-])c(OC)c1Oc1cc(OC)c([N+](=O)[O-])c(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene?
The InChIKey is MXAVHENAECNDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O10/c1-24-10-6-9(7-11(25-2)14(10)18(20)21)29-16-13(27-4)8-12(26-3)15(19(22)23)17(16)28-5/h6-8H,1-5H3.
What are the key properties of 2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene?
2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene has a molecular weight of 410.34 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxy-4-nitrophenoxy)-1,3,5-trimethoxy-4-nitrobenzene is sourced from PubChem (CID 71371782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).