1-methoxy-2-methyl-4-nitrobenzene

C8H9NO3 — CID 643520

IUPAC1-methoxy-2-methyl-4-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3
InChIKeyQOZMIJZYJZQOBV-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.91
Rot. Bonds2

About 1-methoxy-2-methyl-4-nitrobenzene

1-methoxy-2-methyl-4-nitrobenzene (PubChem CID 643520) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-nitrobenzene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-nitrobenzene
PubChem CID643520
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name1-methoxy-2-methyl-4-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3
InChIKeyQOZMIJZYJZQOBV-UHFFFAOYSA-N
XLogP1.91
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.91
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-Nitroanisole
CID 7485
4-Nitrophenetol
CID 7495
3-Methyl-4-nitroanisole
CID 79330
1-Methoxy-4-methyl-2-nitrobenzene
CID 67058
p-Nitrophenyl o-tolyl ether
CID 17123
2-Methyl-4-nitrophenol
CID 7442
2-Acetoxy-5-nitrobenzyl chloride
CID 21619272
2-Allyl-4-nitrophenol
CID 258439
5-Amino-2-methoxybenzotrifluoride
CID 600705
6-Nitro-2-benzopyrone
CID 75944
Benzene, 2-methoxy-1-methyl-4-nitro-
CID 83159
Benzene, 1-(hexyloxy)-4-nitro-
CID 84912

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-nitrobenzene?
The IUPAC name of 1-methoxy-2-methyl-4-nitrobenzene (CID 643520) is 1-methoxy-2-methyl-4-nitrobenzene.
What is the SMILES notation for 1-methoxy-2-methyl-4-nitrobenzene?
The canonical SMILES for 1-methoxy-2-methyl-4-nitrobenzene is COc1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of 1-methoxy-2-methyl-4-nitrobenzene?
The InChIKey is QOZMIJZYJZQOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3.
What are the key properties of 1-methoxy-2-methyl-4-nitrobenzene?
1-methoxy-2-methyl-4-nitrobenzene has a molecular weight of 167.16 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-nitrobenzene is sourced from PubChem (CID 643520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).