4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene

C15H15NO3 — CID 52542193

IUPAC4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene
SMILESCc1ccc([N+](=O)[O-])c(OCc2ccccc2C)c1
InChIInChI=1S/C15H15NO3/c1-11-7-8-14(16(17)18)15(9-11)19-10-13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3
InChIKeyXAQJUJNOFHLIIE-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.79
Rot. Bonds4

About 4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene

4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene (PubChem CID 52542193) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene.

Molecular Properties

Compound Name4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene
PubChem CID52542193
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene
SMILESCc1ccc([N+](=O)[O-])c(OCc2ccccc2C)c1
InChIInChI=1S/C15H15NO3/c1-11-7-8-14(16(17)18)15(9-11)19-10-13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3
InChIKeyXAQJUJNOFHLIIE-UHFFFAOYSA-N
XLogP3.79
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
2-[(5-methyl-2-nitrophenoxy)methyl]benzenecarboximidamide
CID 61030527
2-[(2,5-difluorophenyl)methoxy]-4-methyl-1-nitrobenzene
CID 112842745
4-methyl-2-[(2-nitrophenyl)methoxy]benzaldehyde
CID 142459215
1-bromo-2,5-dimethoxy-4-[(5-methyl-2-nitrophenoxy)methyl]benzene
CID 36632094
8-[(5-methyl-2-nitrophenoxy)methyl]-6-nitro-4H-1,3-benzodioxine
CID 41459080
2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole
CID 41459120
1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
CID 118967411
[2-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 54915748
5-methyl-4-[(5-methyl-2-nitrophenoxy)methyl]thiophene-2-carboxylic acid
CID 80725149
1-[(2-fluorophenyl)methoxy]-3-(5-methyl-2-nitrophenoxy)propan-2-ol
CID 109415518
4-[(5-methyl-2-nitrophenoxy)methyl]benzonitrile
CID 41459059

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene?
The IUPAC name of 4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene (CID 52542193) is 4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene.
What is the SMILES notation for 4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene?
The canonical SMILES for 4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene is Cc1ccc([N+](=O)[O-])c(OCc2ccccc2C)c1.
What is the InChIKey of 4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene?
The InChIKey is XAQJUJNOFHLIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-7-8-14(16(17)18)15(9-11)19-10-13-6-4-3-5-12(13)2/h3-9H,10H2,1-2H3.
What are the key properties of 4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene?
4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene has a molecular weight of 257.29 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene is sourced from PubChem (CID 52542193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).