2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene

C11H15NO6 — CID 10777522

IUPAC2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene
SMILESCOCOc1cc([N+](=O)[O-])c(OC)c(C)c1OC
InChIInChI=1S/C11H15NO6/c1-7-10(16-3)8(12(13)14)5-9(11(7)17-4)18-6-15-2/h5H,6H2,1-4H3
InChIKeyPBQJWSDPUQJBEO-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.90
Rot. Bonds6

About 2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene

2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene (PubChem CID 10777522) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is 2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene
PubChem CID10777522
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene
SMILESCOCOc1cc([N+](=O)[O-])c(OC)c(C)c1OC
InChIInChI=1S/C11H15NO6/c1-7-10(16-3)8(12(13)14)5-9(11(7)17-4)18-6-15-2/h5H,6H2,1-4H3
InChIKeyPBQJWSDPUQJBEO-UHFFFAOYSA-N
XLogP1.90
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene?
The IUPAC name of 2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene (CID 10777522) is 2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene.
What is the SMILES notation for 2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene?
The canonical SMILES for 2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene is COCOc1cc([N+](=O)[O-])c(OC)c(C)c1OC.
What is the InChIKey of 2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene?
The InChIKey is PBQJWSDPUQJBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6/c1-7-10(16-3)8(12(13)14)5-9(11(7)17-4)18-6-15-2/h5H,6H2,1-4H3.
What are the key properties of 2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene?
2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene has a molecular weight of 257.24 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene is sourced from PubChem (CID 10777522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).