2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene

C9H10N4O4 — CID 61397125

IUPAC2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])cc1OCCN=[N+]=[N-]
InChIInChI=1S/C9H10N4O4/c1-16-8-3-2-7(13(14)15)6-9(8)17-5-4-11-12-10/h2-3,6H,4-5H2,1H3
InChIKeyQOWRWMWZSBFXOB-UHFFFAOYSA-N
MW238.20 g/mol
LogP2.29
Rot. Bonds6

About 2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene

2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene (PubChem CID 61397125) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene.

Molecular Properties

Compound Name2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene
PubChem CID61397125
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])cc1OCCN=[N+]=[N-]
InChIInChI=1S/C9H10N4O4/c1-16-8-3-2-7(13(14)15)6-9(8)17-5-4-11-12-10/h2-3,6H,4-5H2,1H3
InChIKeyQOWRWMWZSBFXOB-UHFFFAOYSA-N
XLogP2.29
TPSA110.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-azidoethoxy)-1-chloro-4-nitrobenzene
CID 63990768
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
3-(2-methoxy-5-nitrophenoxy)propanal
CID 63038722
2-(2-azidoethoxy)-5-nitropyridine
CID 59667929
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
1-[4-(2-azidoethoxy)-5-methoxy-2-nitrophenyl]ethanone
CID 59523504
N-[2-(2-methoxy-5-nitrophenoxy)ethyl]-2-methylpropan-2-amine
CID 61386073
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
2-(2-methoxy-5-nitrophenoxy)acetonitrile
CID 8946731
2-(3,3-diethoxypropoxy)-1-methoxy-4-nitrobenzene
CID 63629477
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
4-(2-methoxy-5-nitrophenoxy)-2,2-dimethylbutanoic acid
CID 65248150

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene?
The IUPAC name of 2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene (CID 61397125) is 2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene.
What is the SMILES notation for 2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene?
The canonical SMILES for 2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene is COc1ccc([N+](=O)[O-])cc1OCCN=[N+]=[N-].
What is the InChIKey of 2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene?
The InChIKey is QOWRWMWZSBFXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c1-16-8-3-2-7(13(14)15)6-9(8)17-5-4-11-12-10/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene?
2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene has a molecular weight of 238.20 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene is sourced from PubChem (CID 61397125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).