2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene

C11H15NO5 — CID 145139314

IUPAC2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene
SMILESCCOC(OC)c1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15NO5/c1-4-17-11(16-3)9-7-8(15-2)5-6-10(9)12(13)14/h5-7,11H,4H2,1-3H3
InChIKeyXBZQDKYFJMPZJF-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.28
Rot. Bonds6

About 2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene

2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene (PubChem CID 145139314) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene.

Molecular Properties

Compound Name2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene
PubChem CID145139314
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene
SMILESCCOC(OC)c1cc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15NO5/c1-4-17-11(16-3)9-7-8(15-2)5-6-10(9)12(13)14/h5-7,11H,4H2,1-3H3
InChIKeyXBZQDKYFJMPZJF-UHFFFAOYSA-N
XLogP2.28
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-bromo-1-(5-methoxy-2-nitrophenyl)propane-1,2-diol
CID 171861137
ethane;2-ethyl-4-methoxy-1-nitrobenzene
CID 176687552
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
2-(5-methoxy-2-nitrophenyl)pent-4-ynenitrile
CID 15179574
4-methoxy-3-(5-methoxy-2-nitrophenyl)butan-1-ol
CID 135375254
1-(dimethoxymethyl)-2,5-dimethoxy-3-nitrobenzene
CID 11821231
ethyl (2R,3S)-2,3-dihydroxy-3-(4-methoxy-2-nitrophenyl)propanoate
CID 122678400
methyl 3-(dimethylamino)-2-(5-methoxy-2-nitrophenyl)propanoate
CID 10924000
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
4-methoxy-2-[(2S)-1-nitrobutan-2-yl]phenol
CID 100982844
ethane;5-methoxy-2-nitrophenol
CID 143133372
N-[(1-ethylcyclopropyl)methyl]-5-methoxy-2-nitroaniline
CID 103736861

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene?
The IUPAC name of 2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene (CID 145139314) is 2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene.
What is the SMILES notation for 2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene?
The canonical SMILES for 2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene is CCOC(OC)c1cc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene?
The InChIKey is XBZQDKYFJMPZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-4-17-11(16-3)9-7-8(15-2)5-6-10(9)12(13)14/h5-7,11H,4H2,1-3H3.
What are the key properties of 2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene?
2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene has a molecular weight of 241.24 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(methoxy)methyl]-4-methoxy-1-nitrobenzene is sourced from PubChem (CID 145139314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).