2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene

C11H15NO4 — CID 58374304

IUPAC2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene
SMILESCOC(OC)c1c(C)ccc([N+](=O)[O-])c1C
InChIInChI=1S/C11H15NO4/c1-7-5-6-9(12(13)14)8(2)10(7)11(15-3)16-4/h5-6,11H,1-4H3
InChIKeyHRENMVFHIUDBDA-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.50
Rot. Bonds4

About 2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene

2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene (PubChem CID 58374304) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene.

Molecular Properties

Compound Name2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene
PubChem CID58374304
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene
SMILESCOC(OC)c1c(C)ccc([N+](=O)[O-])c1C
InChIInChI=1S/C11H15NO4/c1-7-5-6-9(12(13)14)8(2)10(7)11(15-3)16-4/h5-6,11H,1-4H3
InChIKeyHRENMVFHIUDBDA-UHFFFAOYSA-N
XLogP2.50
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl 3-(2,6-dimethyl-3-nitrophenyl)-4-nitrobutanoate
CID 118276902
6-methoxy-2-methyl-3-nitrophenol
CID 10058181
N,2,6-trimethyl-3-nitroaniline
CID 126991962
methyl 2,3-dimethyl-6-nitrobenzoate
CID 134648368
3-bromo-1-methoxy-2-methyl-4-nitrobenzene
CID 53416656
2-chloro-6-methyl-3-nitrobenzaldehyde
CID 119014184
2-chloro-3-methoxy-1-methyl-4-nitrobenzene
CID 119002827
2,6-dimethyl-3-nitrobenzamide
CID 118992531
3-methyl-6-nitrobenzene-1,2-diol
CID 45121162
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
(2,6-dimethyl-3-nitrophenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671380
4-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]-1,2-dimethylbenzene
CID 11000537

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene?
The IUPAC name of 2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene (CID 58374304) is 2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene.
What is the SMILES notation for 2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene?
The canonical SMILES for 2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene is COC(OC)c1c(C)ccc([N+](=O)[O-])c1C.
What is the InChIKey of 2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene?
The InChIKey is HRENMVFHIUDBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-7-5-6-9(12(13)14)8(2)10(7)11(15-3)16-4/h5-6,11H,1-4H3.
What are the key properties of 2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene?
2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene has a molecular weight of 225.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-1,3-dimethyl-4-nitrobenzene is sourced from PubChem (CID 58374304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).