4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene

C14H12N2O5 — CID 19897914

IUPAC4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
SMILESCc1ccc(Oc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O5/c1-9-3-5-13(11(7-9)15(17)18)21-14-6-4-10(2)8-12(14)16(19)20/h3-8H,1-2H3
InChIKeyLDRQRAUTSCTILG-UHFFFAOYSA-N
MW288.26 g/mol
LogP3.91
Rot. Bonds4

About 4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene

4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene (PubChem CID 19897914) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
PubChem CID19897914
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
SMILESCc1ccc(Oc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O5/c1-9-3-5-13(11(7-9)15(17)18)21-14-6-4-10(2)8-12(14)16(19)20/h3-8H,1-2H3
InChIKeyLDRQRAUTSCTILG-UHFFFAOYSA-N
XLogP3.91
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 53.91
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

1-(5-chloro-2-nitrophenoxy)-4-methyl-2-nitrobenzene
CID 133389386
4-methyl-2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61395720
1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588
[2-(4-methyl-2-nitrophenoxy)phenyl]methanol
CID 61311271
2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61311075
5-methyl-2-(4-methyl-2-nitrophenoxy)benzenecarboximidamide
CID 107930807
1-[3-bromo-4-(4-methyl-2-nitrophenoxy)phenyl]ethanone
CID 62909886
1-chloro-2-(2,4-dinitrophenoxy)-4-methylbenzene
CID 9111258
1-[4-(chloromethyl)phenoxy]-4-methyl-2-nitrobenzene
CID 61312029
3-(4-methyl-2-nitrophenoxy)aniline
CID 54908905
4-chloro-2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61395960
(1S)-1-[3-fluoro-4-(4-methyl-2-nitrophenoxy)phenyl]ethanamine
CID 78937894

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene?
The IUPAC name of 4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene (CID 19897914) is 4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene.
What is the SMILES notation for 4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene?
The canonical SMILES for 4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene is Cc1ccc(Oc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene?
The InChIKey is LDRQRAUTSCTILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-9-3-5-13(11(7-9)15(17)18)21-14-6-4-10(2)8-12(14)16(19)20/h3-8H,1-2H3.
What are the key properties of 4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene?
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene has a molecular weight of 288.26 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene is sourced from PubChem (CID 19897914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).