1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene

C12H19NO5 — CID 174264665

IUPAC1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene
SMILESCOCCOCCOC.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.C6H14O3/c8-7(9)6-4-2-1-3-5-6;1-7-3-5-9-6-4-8-2/h1-5H;3-6H2,1-2H3
InChIKeyQZRJWAYGEOANFT-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.89
Rot. Bonds7

About 1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene

1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene (PubChem CID 174264665) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene.

Molecular Properties

Compound Name1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene
PubChem CID174264665
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene
SMILESCOCCOCCOC.O=[N+]([O-])c1ccccc1
InChIInChI=1S/C6H5NO2.C6H14O3/c8-7(9)6-4-2-1-3-5-6;1-7-3-5-9-6-4-8-2/h1-5H;3-6H2,1-2H3
InChIKeyQZRJWAYGEOANFT-UHFFFAOYSA-N
XLogP1.89
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene?
The IUPAC name of 1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene (CID 174264665) is 1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene.
What is the SMILES notation for 1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene?
The canonical SMILES for 1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene is COCCOCCOC.O=[N+]([O-])c1ccccc1.
What is the InChIKey of 1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene?
The InChIKey is QZRJWAYGEOANFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C6H14O3/c8-7(9)6-4-2-1-3-5-6;1-7-3-5-9-6-4-8-2/h1-5H;3-6H2,1-2H3.
What are the key properties of 1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene?
1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene has a molecular weight of 257.29 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methoxyethoxy)ethane;nitrobenzene is sourced from PubChem (CID 174264665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).