2-methoxy-4-nitro-1-(3-nitrophenyl)benzene

C13H10N2O5 — CID 91596770

IUPAC2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
SMILESCOc1cc([N+](=O)[O-])ccc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O5/c1-20-13-8-11(15(18)19)5-6-12(13)9-3-2-4-10(7-9)14(16)17/h2-8H,1H3
InChIKeyHUVMPZDTDBFSIZ-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.18
Rot. Bonds4

About 2-methoxy-4-nitro-1-(3-nitrophenyl)benzene

2-methoxy-4-nitro-1-(3-nitrophenyl)benzene (PubChem CID 91596770) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is 2-methoxy-4-nitro-1-(3-nitrophenyl)benzene.

Molecular Properties

Compound Name2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
PubChem CID91596770
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
SMILESCOc1cc([N+](=O)[O-])ccc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10N2O5/c1-20-13-8-11(15(18)19)5-6-12(13)9-3-2-4-10(7-9)14(16)17/h2-8H,1H3
InChIKeyHUVMPZDTDBFSIZ-UHFFFAOYSA-N
XLogP3.18
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-methoxy-4-(3-nitrophenyl)phenol
CID 24767500
[4,5-dimethoxy-2-(3-nitrophenyl)phenyl]methanamine
CID 61385627
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
2-[4-methoxy-3-(3-nitrophenyl)phenyl]acetonitrile
CID 68788538
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
4-methoxy-7-(3-nitrophenyl)-1,3-benzothiazole
CID 141045285
4-methoxy-3-(3-nitrophenyl)benzoyl chloride
CID 118072392
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine
CID 61385585
3-(2-methoxy-4-nitrophenyl)-1-methylpyridin-2-one
CID 59586699
4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide
CID 18476102
3-methoxy-2-(3-nitrophenyl)-6-phenylpyridine
CID 11077630

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-nitro-1-(3-nitrophenyl)benzene?
The IUPAC name of 2-methoxy-4-nitro-1-(3-nitrophenyl)benzene (CID 91596770) is 2-methoxy-4-nitro-1-(3-nitrophenyl)benzene.
What is the SMILES notation for 2-methoxy-4-nitro-1-(3-nitrophenyl)benzene?
The canonical SMILES for 2-methoxy-4-nitro-1-(3-nitrophenyl)benzene is COc1cc([N+](=O)[O-])ccc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methoxy-4-nitro-1-(3-nitrophenyl)benzene?
The InChIKey is HUVMPZDTDBFSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c1-20-13-8-11(15(18)19)5-6-12(13)9-3-2-4-10(7-9)14(16)17/h2-8H,1H3.
What are the key properties of 2-methoxy-4-nitro-1-(3-nitrophenyl)benzene?
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene has a molecular weight of 274.23 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-nitro-1-(3-nitrophenyl)benzene is sourced from PubChem (CID 91596770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).