1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene

C11H15NO6 — CID 11821231

IUPAC1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene
SMILESCOc1cc(C(OC)OC)c(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15NO6/c1-15-7-5-8(11(17-3)18-4)10(16-2)9(6-7)12(13)14/h5-6,11H,1-4H3
InChIKeyQKUNQFJQYGBMEP-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.90
Rot. Bonds6

About 1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene

1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene (PubChem CID 11821231) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene
PubChem CID11821231
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene
SMILESCOc1cc(C(OC)OC)c(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15NO6/c1-15-7-5-8(11(17-3)18-4)10(16-2)9(6-7)12(13)14/h5-6,11H,1-4H3
InChIKeyQKUNQFJQYGBMEP-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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Related Compounds

1-ethyl-2,5-dimethoxy-3-nitrobenzene
CID 71106488
5-(dimethoxymethyl)-1,2-dimethoxy-3-nitrobenzene
CID 118565953
(2R,3R,5S,6R)-6-(2,5-dimethoxy-3-nitrophenyl)-2,6-dimethoxy-5-methylhexane-1,3-diol
CID 11740062
(2R,3R,4S,6S,7R)-7-(2,5-dimethoxy-3-nitrophenyl)-4,7-dimethoxy-2,6-dimethylheptane-1,3-diol
CID 11079906
2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene
CID 145139314
1-(dimethoxymethyl)-4,5-difluoro-2-nitrobenzene
CID 19094713
CID 135048660
CID 135048660
3-(2,5-dimethoxy-3-nitrophenyl)propan-1-amine
CID 171474994
(E,4S,5R)-5-(2,5-dimethoxy-3-nitrophenyl)-5-(methoxymethoxy)-2,4-dimethylpent-2-enal
CID 50993243
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
(1S)-1-(5-bromo-2-methoxy-3-nitrophenyl)ethanol
CID 104890600
2-(difluoromethoxy)-5-methoxy-3-nitrobenzoic acid
CID 119015385

Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene?
The IUPAC name of 1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene (CID 11821231) is 1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene.
What is the SMILES notation for 1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene?
The canonical SMILES for 1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene is COc1cc(C(OC)OC)c(OC)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene?
The InChIKey is QKUNQFJQYGBMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6/c1-15-7-5-8(11(17-3)18-4)10(16-2)9(6-7)12(13)14/h5-6,11H,1-4H3.
What are the key properties of 1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene?
1-(dimethoxymethyl)-2,5-dimethoxy-3-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 1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene is sourced from PubChem (CID 11821231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).