1-ethoxy-3-iodo-2-nitrobenzene

C8H8INO3 — CID 135336837

IUPAC1-ethoxy-3-iodo-2-nitrobenzene
SMILESCCOc1cccc(I)c1[N+](=O)[O-]
InChIInChI=1S/C8H8INO3/c1-2-13-7-5-3-4-6(9)8(7)10(11)12/h3-5H,2H2,1H3
InChIKeyFVOMUZDRAZKUKY-UHFFFAOYSA-N
MW293.06 g/mol
LogP2.60
Rot. Bonds3

About 1-ethoxy-3-iodo-2-nitrobenzene

1-ethoxy-3-iodo-2-nitrobenzene (PubChem CID 135336837) has the molecular formula C8H8INO3 and a molecular weight of 293.06 g/mol. Its IUPAC name is 1-ethoxy-3-iodo-2-nitrobenzene.

Molecular Properties

Compound Name1-ethoxy-3-iodo-2-nitrobenzene
PubChem CID135336837
Molecular FormulaC8H8INO3
Molecular Weight293.06 g/mol
Exact Mass292.95
IUPAC Name1-ethoxy-3-iodo-2-nitrobenzene
SMILESCCOc1cccc(I)c1[N+](=O)[O-]
InChIInChI=1S/C8H8INO3/c1-2-13-7-5-3-4-6(9)8(7)10(11)12/h3-5H,2H2,1H3
InChIKeyFVOMUZDRAZKUKY-UHFFFAOYSA-N
XLogP2.60
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-ethoxy-3-iodo-2-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-iodo-2-nitro-3-phenylmethoxybenzene
CID 134860579
3-ethoxy-2-nitrobenzoyl chloride
CID 139644234
2-(3-ethoxy-2-nitrophenyl)acetamide
CID 69300163
1-iodo-2-nitro-3-(trifluoromethoxy)benzene
CID 118807896
4-ethoxy-3-nitro-1H-pyridin-2-one
CID 167456607
[4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine
CID 106485640
2-nitro-1,3-dioctoxybenzene
CID 537243
2-ethoxy-6-iodophenol
CID 171366674
1-(3-ethoxy-2-nitrophenyl)-1,2,4-triazole
CID 113393202
2-(3-ethoxy-N-ethyl-2-nitroanilino)acetic acid
CID 113392862
2-(3-ethoxy-2-nitrophenyl)-4-methylpentanoic acid
CID 104571808
1-(3-ethoxy-2-nitrophenyl)imidazole
CID 113393200

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-iodo-2-nitrobenzene?
The IUPAC name of 1-ethoxy-3-iodo-2-nitrobenzene (CID 135336837) is 1-ethoxy-3-iodo-2-nitrobenzene.
What is the SMILES notation for 1-ethoxy-3-iodo-2-nitrobenzene?
The canonical SMILES for 1-ethoxy-3-iodo-2-nitrobenzene is CCOc1cccc(I)c1[N+](=O)[O-].
What is the InChIKey of 1-ethoxy-3-iodo-2-nitrobenzene?
The InChIKey is FVOMUZDRAZKUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO3/c1-2-13-7-5-3-4-6(9)8(7)10(11)12/h3-5H,2H2,1H3.
What are the key properties of 1-ethoxy-3-iodo-2-nitrobenzene?
1-ethoxy-3-iodo-2-nitrobenzene has a molecular weight of 293.06 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-iodo-2-nitrobenzene is sourced from PubChem (CID 135336837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).