4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene

C14H12N2O6 — CID 12582438

IUPAC4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])c(-c2cc(OC)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O6/c1-21-9-3-5-13(15(17)18)11(7-9)12-8-10(22-2)4-6-14(12)16(19)20/h3-8H,1-2H3
InChIKeyJTQUTIQOPUPMHS-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.19
Rot. Bonds5

About 4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene

4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene (PubChem CID 12582438) has the molecular formula C14H12N2O6 and a molecular weight of 304.26 g/mol. Its IUPAC name is 4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene.

Molecular Properties

Compound Name4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
PubChem CID12582438
Molecular FormulaC14H12N2O6
Molecular Weight304.26 g/mol
Exact Mass304.07
IUPAC Name4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])c(-c2cc(OC)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O6/c1-21-9-3-5-13(15(17)18)11(7-9)12-8-10(22-2)4-6-14(12)16(19)20/h3-8H,1-2H3
InChIKeyJTQUTIQOPUPMHS-UHFFFAOYSA-N
XLogP3.19
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.19
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'}

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Related Compounds

ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
ethane;5-methoxy-2-nitrophenol
CID 143133372
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CID 14699120
5-methoxy-N,N-dimethyl-2-nitroaniline
CID 19827456
ethane;2-ethyl-4-methoxy-1-nitrobenzene
CID 176687552
5-(5-methoxy-2-nitrophenyl)-2,2-dimethyl-3H-1,3,4-thiadiazole
CID 57409458
sodium 4-methoxy-2-nitrobenzenethiol
CID 23676641
4-methoxy-1-nitro-2-prop-1-en-2-ylbenzene
CID 53341761
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
1-isocyano-4-methoxy-2-nitrobenzene
CID 11788603
4-methoxy-1-(methoxymethyl)-2-nitrobenzene
CID 10584070
2-(5-methoxy-2-nitrophenyl)-3,1-benzoxazin-4-one
CID 46189780

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene?
The IUPAC name of 4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene (CID 12582438) is 4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene.
What is the SMILES notation for 4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene?
The canonical SMILES for 4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene is COc1ccc([N+](=O)[O-])c(-c2cc(OC)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene?
The InChIKey is JTQUTIQOPUPMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O6/c1-21-9-3-5-13(15(17)18)11(7-9)12-8-10(22-2)4-6-14(12)16(19)20/h3-8H,1-2H3.
What are the key properties of 4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene?
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene has a molecular weight of 304.26 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene is sourced from PubChem (CID 12582438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).