4-methoxy-1-(methoxymethyl)-2-nitrobenzene

C9H11NO4 — CID 10584070

IUPAC4-methoxy-1-(methoxymethyl)-2-nitrobenzene
SMILESCOCc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11NO4/c1-13-6-7-3-4-8(14-2)5-9(7)10(11)12/h3-5H,6H2,1-2H3
InChIKeyGZMATFOQTVHGIV-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.75
Rot. Bonds4

About 4-methoxy-1-(methoxymethyl)-2-nitrobenzene

4-methoxy-1-(methoxymethyl)-2-nitrobenzene (PubChem CID 10584070) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-methoxy-1-(methoxymethyl)-2-nitrobenzene.

Molecular Properties

Compound Name4-methoxy-1-(methoxymethyl)-2-nitrobenzene
PubChem CID10584070
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name4-methoxy-1-(methoxymethyl)-2-nitrobenzene
SMILESCOCc1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11NO4/c1-13-6-7-3-4-8(14-2)5-9(7)10(11)12/h3-5H,6H2,1-2H3
InChIKeyGZMATFOQTVHGIV-UHFFFAOYSA-N
XLogP1.75
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-2-nitrophenyl)methoxymethanesulfinic acid
CID 177226726
2-(4-methoxy-2-nitrophenyl)acetonitrile
CID 11183126
1-(methoxymethyl)-2-nitro-4-propan-2-ylbenzene
CID 156841490
ethane;2-ethyl-4-methoxy-1-nitrobenzene
CID 176687552
2-chloro-3-(4-methoxy-2-nitrophenyl)propanamide
CID 104513136
1-ethyl-4-(methoxymethyl)-2-nitrobenzene
CID 12708566
1-(2-chloro-2-cyclopropylethyl)-4-methoxy-2-nitrobenzene
CID 63353069
bis(2-hydroxyethyl)-[(4-methoxy-2-nitrophenyl)methyl]-methylazanium chloride
CID 10758094
methyl 2-chloro-3-(4-methoxy-2-nitrophenyl)propanoate
CID 83194461
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
ethane;5-methoxy-2-nitrophenol
CID 143133372

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(methoxymethyl)-2-nitrobenzene?
The IUPAC name of 4-methoxy-1-(methoxymethyl)-2-nitrobenzene (CID 10584070) is 4-methoxy-1-(methoxymethyl)-2-nitrobenzene.
What is the SMILES notation for 4-methoxy-1-(methoxymethyl)-2-nitrobenzene?
The canonical SMILES for 4-methoxy-1-(methoxymethyl)-2-nitrobenzene is COCc1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-1-(methoxymethyl)-2-nitrobenzene?
The InChIKey is GZMATFOQTVHGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-13-6-7-3-4-8(14-2)5-9(7)10(11)12/h3-5H,6H2,1-2H3.
What are the key properties of 4-methoxy-1-(methoxymethyl)-2-nitrobenzene?
4-methoxy-1-(methoxymethyl)-2-nitrobenzene has a molecular weight of 197.19 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(methoxymethyl)-2-nitrobenzene is sourced from PubChem (CID 10584070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).