1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene

C10H12N4O4 — CID 175369971

IUPAC1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene
SMILESCOc1cc(C)c([N+](=O)[O-])cc1OCCN=[N+]=[N-]
InChIInChI=1S/C10H12N4O4/c1-7-5-9(17-2)10(6-8(7)14(15)16)18-4-3-12-13-11/h5-6H,3-4H2,1-2H3
InChIKeyCYXQDDHRAHXSQH-UHFFFAOYSA-N
MW252.23 g/mol
LogP2.60
Rot. Bonds6

About 1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene

1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene (PubChem CID 175369971) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene.

Molecular Properties

Compound Name1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene
PubChem CID175369971
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene
SMILESCOc1cc(C)c([N+](=O)[O-])cc1OCCN=[N+]=[N-]
InChIInChI=1S/C10H12N4O4/c1-7-5-9(17-2)10(6-8(7)14(15)16)18-4-3-12-13-11/h5-6H,3-4H2,1-2H3
InChIKeyCYXQDDHRAHXSQH-UHFFFAOYSA-N
XLogP2.60
TPSA110.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 52.60
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'}

Analyze 1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-azidoethoxy)-5-methoxy-2-nitrophenyl]ethanone
CID 59523504
1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene
CID 57346293
2-(2-azidoethoxy)-1-methoxy-4-nitrobenzene
CID 61397125
5,12,19-tris(2-azidoethoxy)-6,13,20-trimethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 53254613
2-(2-azidoethoxy)-1-chloro-4-nitrobenzene
CID 63990768
ethane;2-methoxy-4-methyl-5-nitroaniline
CID 145393912
2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine
CID 170485626
[4-(2-azidoethoxy)-3-methoxyphenyl]methanol
CID 20769149
1-[5-methoxy-4-(2-methoxyethoxy)-2-nitrophenyl]ethanone
CID 10539898
4-[5-(4-carboxy-2-methoxy-5-nitrophenoxy)pentoxy]-5-methoxy-2-nitrobenzoic acid
CID 15329169
2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine
CID 112720413
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene?
The IUPAC name of 1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene (CID 175369971) is 1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene.
What is the SMILES notation for 1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene?
The canonical SMILES for 1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene is COc1cc(C)c([N+](=O)[O-])cc1OCCN=[N+]=[N-].
What is the InChIKey of 1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene?
The InChIKey is CYXQDDHRAHXSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c1-7-5-9(17-2)10(6-8(7)14(15)16)18-4-3-12-13-11/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene?
1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene has a molecular weight of 252.23 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene is sourced from PubChem (CID 175369971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).